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CAS No. :	908112-43-6
Formula :	C₂₃H₂₇F₃N₄O₃
M.W :	464.48
SMILES Code :	O=C(N)C1=CC=C(N2N=C(C(F)(F)F)C3=C2CC(C)(C)CC3=O)C=C1N[C@H]4CC[C@H](O)CC4
Synonyms :	PF-04928473
MDL No. :	MFCD16038907
InChI Key :	ZFVRYNYOPQZKDG-UHFFFAOYSA-N
Pubchem ID :	24772860

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302
Precautionary Statements:	P280-P305+P351+P338

B-cell lines expressing either BTK wild type or C481 mutant BTK	100 nM	16 hours	Reduction in both phospho and total BTK protein levels	PMC7905592
SkBr3 cells	10 μM	18 hours	Studied the impact of 5b on HER2 maturation, showing significant reduction in HER2 levels upon Hsp90α knockdown without inducing the heat shock response.	PMC8996186
PC3-MM2	10 µM	24 h	Evaluation of the effect of Grp94 inhibitors on cell migration	PMC5568423
PR-GTL-16 cells	57.5 nM (IC50)	24 hours	SNX-2112 induced degradation of MET and inhibition of cell proliferation	PMC3263825
EBC-1 non small-cell lung cancer cells	25.2 nM (IC50)	24 hours	SNX-2112 induced degradation of MET and inhibition of cell proliferation	PMC3263825
MKN-45 gastric cancer cells	30.3 nM (IC50)	24 hours	SNX-2112 induced degradation of MET and inhibition of cell proliferation	PMC3263825
GTL-16 gastric cancer cells	35.6 nM (IC50)	24 hours	SNX-2112 induced degradation of MET and inhibition of cell proliferation	PMC3263825
HCT-116 cells	100 nM, 250 nM, 1.25 μM, 2.5 μM	24 hours	Assessed the degradation effect of 6a on Hsp90β-dependent clients (e.g., CDK4 and CDK6), with total levels of Erk5 and Raf-1 decreasing at higher concentrations.	PMC8996186
UM-UC-3 bladder cancer cells	0.5 μM	24 hours	Evaluated the effect of Hsp90β-selective inhibition on degradation of Hsp90-dependent client proteins, showing significant reduction in FGFR3, CXCR4, and B-Raf levels.	PMC8996186
Esophageal cancer stem-like cells (ECSLCs)	0.2 μM	24 hours	The combination of SNX-2112 and shSTAT3 significantly induced apoptosis and cell cycle arrest at G2/M phase in ECSLCs.	PMC7772942
Primary CLL cells	0.1 µM	48 hours	Reduced proliferation	PMC7905592
Esophageal cancer stem-like cells (ECSLCs)	0.2 μM	24 hours	SNX-2112 inhibited cancer cell proliferation, decreased ABCB1 and ABCG2 gene expression levels and reduced the colony formation capacity of ECSLCs, which was enhanced by STAT3 silencing.	PMC7772942
H520 cells	2.15, 21.5, 215 µM	24, 48, 72 hours	SNX-2112 significantly inhibited the proliferation of H520 cells, with IC50 values of 152.30±8.57 µM (24 hours), 2.07±1.72 µM (48 hours), and 1.72±1.50 µM (72 hours).	PMC8408115
A549 cells	2.15, 21.5, 215 µM	24, 48, 72 hours	SNX-2112 significantly inhibited the proliferation of A549 cells, with IC50 values of 148.01±18.99 µM (24 hours), 13.67±10.76 µM (48 hours), and 0.45±0.04 µM (72 hours).	PMC8408115
BT-474	1 μM	3 to 6 hours	Both SNX-2112 and 17-AAG down-regulated HER2 expression, inhibited Akt and Erk pathway activity, and induced cell cycle arrest and apoptosis.	PMC3203688
T47D cells	1 µM	4 hours	SNX-2112 causes degradation of both full-length HER2 and p95-HER2 and downregulates HER2, AKT, and ERK signaling pathways.	PMC3057066
CpG stimulated primary CLL cells	0.5 μM	48 hours	Mimics the natural stimulation of the tumor microenvironment, reduced proliferation	PMC7905592
PC-3 cells	1 µM	48 hours	To evaluate the effect of Hsp90 inhibitors on HSP expression, results showed that both PF-04928473 and 17-AAG could induce the expression of Hsp27 and Hsp70	PMC4079118
RAW 264.7 cells	10 nM	5 days	To assess the effects of PF-04928473 on osteoclast differentiation, results showed that PF-04928473 significantly inhibited RANKL-induced osteoclast differentiation.	PMC4437585
RPTEC	1129 nM (IC50)	72 hours	SNX2112 showed weak inhibitory effect on normal renal tubular epithelial cells	PMC9235180
UOK332	105 nM (IC50)	72 hours	SNX2112 significantly inhibited cellular proliferation, induced G2/M cell cycle arrest and apoptosis	PMC9235180
UOK337	52.45 nM (IC50)	72 hours	SNX2112 significantly inhibited cellular proliferation, induced G2/M cell cycle arrest and apoptosis	PMC9235180
UOK342	67 nM (IC50)	72 hours	SNX2112 significantly inhibited cellular proliferation, induced G2/M cell cycle arrest and apoptosis	PMC9235180
UOK345	78 nM (IC50)	72 hours	SNX2112 significantly inhibited cellular proliferation, induced G2/M cell cycle arrest and apoptosis	PMC9235180
PC-3-M cells	42 nM (IC90)	72 hours	To assess the effects of PF-04928473 on prostate cancer cell growth, results showed that PF-04928473 inhibited cell growth in a dose-dependent manner.	PMC4437585
PC-3 cells	36 nM (IC90)	72 hours	To assess the effects of PF-04928473 on prostate cancer cell growth, results showed that PF-04928473 inhibited cell growth in a dose-dependent manner.	PMC4437585
DU145 cells	16 nM (IC90)	72 hours	To assess the effects of PF-04928473 on prostate cancer cell growth, results showed that PF-04928473 inhibited cell growth in a dose-dependent manner.	PMC4437585
C4-2 cells	8.2 nM (IC90)	72 hours	To assess the effects of PF-04928473 on prostate cancer cell growth, results showed that PF-04928473 inhibited cell growth in a dose-dependent manner.	PMC4437585
LNCaP cells	6.5 nM (IC90)	72 hours	To assess the effects of PF-04928473 on prostate cancer cell growth, results showed that PF-04928473 inhibited cell growth in a dose-dependent manner.	PMC4437585
H1975 cells	2.36±0.82 μM (IC 50)	72 hours	Inhibited cell proliferation, induced cell cycle arrest and apoptosis	PMC8039390
H1299 cells	1.14±1.11 μM (IC 50)	72 hours	Inhibited cell proliferation, induced cell cycle arrest and apoptosis	PMC8039390
A549 cells	0.50±0.01 μM (IC 50)	72 hours	Inhibited cell proliferation, induced cell cycle arrest and apoptosis	PMC8039390

Balb/c nude mice	ECSLCs xenograft model	Intraperitoneal injection	10 mg/kg	Administered every other day for 2 weeks	SNX-2112 with shSTAT3 inhibited the proliferation of ECSLCs in vivo.	PMC7772942
Sprague-Dawley rats	No specific model	Intravenous injection	2 mg/kg	Single dose, observation time points: 10, 20, 30 minutes; 1 hour; 2, 4, 6, 8, 12, 18 hours	To evaluate the pharmacokinetic behaviors and biodistribution of SNX-2112 nanocrystals in rats. The results showed that the nanocrystals rapidly released drug molecules in vivo, accounting for their cosolvent-like pharmacokinetic behaviors. Due to particulate uptake, drug accumulation in the liver and spleen was significant at the initial time points (within 1 hour).	PMC4386773
Nude mice	LNCaP castrate-resistant prostate cancer xenograft model	Oral	25 mg/kg	Not specified	To evaluate the effect of combined treatment with OGX-427 and PF-04929113, results showed that the combination significantly inhibited tumor growth and prolonged survival	PMC4079118
NSG mice	Human PRCC xenograft model	Oral	30 mg/kg	3 times per week for 5 weeks	SNX5422 significantly inhibited tumor growth and prolonged survival	PMC9235180
BALB/c nude mice	Non-small cell lung cancer xenograft model	Tail vein injection	5 mg/kg, 10 mg/kg	Continuous for 7 days	SNX-2112 significantly inhibited tumor growth, with tumor volumes in the 5 mg/kg and 10 mg/kg dose groups being significantly smaller than the control group (P<0.05). Additionally, the necrosis and apoptosis rates of tumor tissues were significantly increased in the 10 mg/kg dose group.	PMC8408115
Mice	Eμ-TCL1 CLL ibrutinib resistant model	Not specified	50 mg/kg	3 days/week	Combination with ibrutinib significantly improved survival and reduced splenic tumor burden	PMC7905592
Nude mice	BT-474 xenograft model	Oral	50 mg/kg	5 times per week for 4 weeks	SNX-5542 exhibited significant antitumor activity in a HER2-dependent breast cancer model, leading to partial tumor regression.	PMC3203688
Male athymic mice	LNCaP xenograft model	Orally	50 mg/kg	Three times per week, for 60 days	To assess the effects of PF-04929113 on castrate-resistant LNCaP tumor growth, results showed that PF-04929113 significantly inhibited tumor growth and prolonged survival.	PMC4437585
Nude mice	GTL-16 and EBC-1 xenograft models	Oral	50 mg/kg and 75 mg/kg	Monday, Wednesday, Friday schedule for 24 days	SNX-5542 significantly inhibited tumor growth	PMC3263825
Nude mice	F2#1282 tumor model	Oral	75 mg/kg	Single dose	SNX5422 induces degradation of HER2 and p95-HER2 and inhibits AKT signaling and tumor growth.	PMC3057066

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CAS No.: 908112-43-6

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CAS No.: 908112-43-6

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Preparing Stock Solutions		1mg	5mg	10mg
Preparing Stock Solutions	1 mM 5 mM 10 mM	2.15mL 0.43mL 0.22mL	10.76mL 2.15mL 1.08mL	21.53mL 4.31mL 2.15mL
Dissolving Methods	Animal experiment Please choose the appropriate dissolution scheme according to your animal administration guide.For the following dissolution schemes, clear stock solution should be prepared according to in vitro experiments, and then cosolvent should be added in turn: in order to ensure the reliability of the experimental results, the clarified stock solution can be properly preserved according to the storage conditions; The working fluid for in vivo experiment is recommended to be prepared now and used on the same day; The percentage shown in front of the following solvent refers to the volume ratio of the solvent in the final solution; If precipitation or precipitation occurs in the preparation process, it can be assisted by heating and/or ultrasound. Protocol 1 Protocol 2

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed