There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.
Type | HazMat fee for 500 gram (Estimated) |
Excepted Quantity | USD 0.00 |
Limited Quantity | USD 15-60 |
Inaccessible (Haz class 6.1), Domestic | USD 80+ |
Inaccessible (Haz class 6.1), International | USD 150+ |
Accessible (Haz class 3, 4, 5 or 8), Domestic | USD 100+ |
Accessible (Haz class 3, 4, 5 or 8), International | USD 200+ |
Structure of 31106-82-8
*Storage: {[sel_prStorage]}
*Shipping: {[sel_prShipping]}
The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
4.5
*For Research Use Only !
Change View
Size | Price | VIP Price | US Stock |
Global Stock |
In Stock | ||
{[ item.pr_size ]} |
Inquiry
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,1,item.pr_is_large_size_no_price, item.discount_usd) ]} {[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]} |
Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]} | Inquiry {[ item.pr_usastock ]} In Stock Inquiry - | {[ item.pr_chinastock ]} {[ item.pr_remark ]} In Stock 1-2 weeks - Inquiry - | Login | - + | Inquiry |
Please Login or Create an Account to: See VIP prices and availability
US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days
1-2weeks
Inquiry
{[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]}
{[ getRatePrice(item.pr_usd,1,item.mem_rate,item.pr_is_large_size_no_price, item.pr_usd) ]}
Inquiry
{[ getRatePrice(item.pr_usd,item.pr_rate,1,item.pr_is_large_size_no_price, item.vip_usd) ]}
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]}
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]}
In Stock
- +
Please Login or Create an Account to: See VIP prices and availability
US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Synthesis of 2-oxoquinoline derivatives as dual pim and mTORC protein kinase inhibitors
Giri R. Gnawali ; Koichi Okumura ; Karolina Perez ; Rosa Gallagher ; Julia Wulfkuhle ; Emanuel F. Petricoin , et al.
Abstract: Compound VBT-5445 was identified as an inhibitor to block the association of Pim and the protein Enhancer of Decapping 3 (EDC3), a Pim substrate, which normally functions to enhance the decapping of messenger RNA (mRNA). It was also shown to inhibit both the Pim and mTORC protein kinases. The activity of this compound class can be fine-tuned by structural modification. A series of VBT analogs were designed, synthesized, and evaluated. These compounds decrease the growth of multiple cancer types, including pancreas, prostate, breast, lung, and leukemia. Notably, 6-methyl (GRG-1-31, 6d), 4-chloro (GRG-1-34, 6e), 4-Bromo (GRG-1-35, 6f), and phenylthio substituted (GRG-1-104, 6n) derivatives are highly potent at inhibiting tumor growth. The ability of these compounds to block cancer growth in vitro is highly correlated with their activity as mTORC inhibitors. The toxicity of GRG 1–34 is low in mice treated with twice-daily gavage for 30 days and did not induce weight loss. Pharmacokinetics of a single oral dose demonstrated a peak concentration at 0.5 h after gavage. In summary, further development of this compound class has the potential to inhibit important signaling pathways and impact cancer treatment.
Show More >
Keywords: Quinoline derivatives ; Pim kinase ; Antitumor activity ; mTORC
Show More >
Purchased from AmBeed: 180748-30-5 ; 4837-01-8 ; 589-10-6 ; 6627-60-7 ; 31106-82-8 ; 1260903-05-6 ; 872577-05-4 ; 865156-50-9 ; 188637-63-0 ; 103-67-3 ; 3731-51-9 ; 164341-39-3 ; 67938-76-5 ; 22921-76-2 ; 1241725-81-4 ; 131052-62-5 ; 184637-50-1
Show More >
CAS No. : | 31106-82-8 |
Formula : | C6H7Br2N |
M.W : | 252.93 |
SMILES Code : | BrCC1=NC=CC=C1.[H]Br |
MDL No. : | MFCD01863544 |
InChI Key : | JQDNCGRNPYKRAO-UHFFFAOYSA-N |
Pubchem ID : | 2734720 |
GHS Pictogram: |
![]() |
Signal Word: | Danger |
Hazard Statements: | H314 |
Precautionary Statements: | P501-P260-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405 |
Class: | 8 |
UN#: | 3261 |
Packing Group: | Ⅱ |
Num. heavy atoms | 9 |
Num. arom. heavy atoms | 6 |
Fraction Csp3 | 0.17 |
Num. rotatable bonds | 1 |
Num. H-bond acceptors | 1.0 |
Num. H-bond donors | 0.0 |
Molar Refractivity | 47.11 |
TPSA ? Topological Polar Surface Area: Calculated from |
12.89 Ų |
Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from |
0.0 |
Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by |
2.47 |
Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from |
2.78 |
Log Po/w (MLOGP)? MLOGP: Topological method implemented from |
1.8 |
Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by |
2.4 |
Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions |
1.89 |
Log S (ESOL):? ESOL: Topological method implemented from |
-3.39 |
Solubility | 0.103 mg/ml ; 0.000406 mol/l |
Class? Solubility class: Log S scale |
Soluble |
Log S (Ali)? Ali: Topological method implemented from |
-2.39 |
Solubility | 1.04 mg/ml ; 0.00412 mol/l |
Class? Solubility class: Log S scale |
Soluble |
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by |
-3.28 |
Solubility | 0.134 mg/ml ; 0.00053 mol/l |
Class? Solubility class: Log S scale |
Soluble |
GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg |
High |
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg |
Yes |
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) |
No |
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) |
No |
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) |
No |
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) |
No |
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) |
No |
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) |
No |
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from |
-6.09 cm/s |
Lipinski? Lipinski (Pfizer) filter: implemented from |
0.0 |
Ghose? Ghose filter: implemented from |
None |
Veber? Veber (GSK) filter: implemented from |
0.0 |
Egan? Egan (Pharmacia) filter: implemented from |
0.0 |
Muegge? Muegge (Bayer) filter: implemented from |
1.0 |
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat |
0.55 |
PAINS? Pan Assay Interference Structures: implemented from |
0.0 alert |
Brenk? Structural Alert: implemented from |
1.0 alert: heavy_metal |
Leadlikeness? Leadlikeness: implemented from |
No; 1 violation:MW<0.0 |
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) |
1.68 |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
72% | With potassium carbonate; In acetone; for 72h;Reflux; Inert atmosphere; | 6-(2-Picolinyloxy)-2-cyanobenzothiazole: (Bromomethyl)pyridine hydrobromide (1.87 g, 7.38 mmol) and <strong>[939-69-5]2-cyano-6-hydroxybenzothiazole</strong> (1.00 g, 5.68 mmol) were suspended in acetone (50 mL). After introduction of potassium carbonate (1.96 g, 14.2 mmol), the suspension was refluxed for 72 h under nitrogen. After cooling down the mixture and filtering the solids, the filtrate was concentrated and the residue was purified by silica gel chromatography using 50percent-75percent ethyl acetate in heptane. A yellowish solid was obtained in 72percent yield. MS (ESI+): m/z 267.90 (M+H)+; calc'd: 268.05 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With triethylamine; In dichloromethane; at 0 - 20℃; for 16h; | Intermediate 2-12. 5-Methyl-2-(pyridin-2-ylmethyl)-1 ,2,3,4-tetrahydroisoquinolin-6- olTo a solution of Intermediate 2-12-A (420 mg, 2.57 mmol) in CH2CI2 (12 mL) and triethylamine (1 .18 mL, 8.49 mmol) at 0 C was added 2-(bromomethyl)pyridine hydrobromide (781 mg, 3.09 mmol). The mixture was stirred at room temperature for 16 h, and then diluted with CH2CI2 and H20. The organic layer was separated. The aqueous layer was then extracted with CH2CI2. The organic layers were then combined and concentrated. The resulting residue was purified by silica gel flash column chromatography (heptane/EtOAc = 1 /0 to 0/1) to afford the title compound. MS (ESI+) m/z 255.2 (M+H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
81% | To a stirred solution of potassium carbonate (84 mg, 0.605 mmol) in DMF (0.5 mL) was added methyl-3-cycloproyl-3-oxopropionate (0.07 mL, 0.6053 mmol). After stirring at rt for 2 h, 3-methoxyophenyl isothiocyanate (0.08 mL, 0.6053 mmol) was added at 0 C. Then, the mixture was stirred for 60 C for 2 h before addition of 2-(bromomethyl)pyridine hydrobromide (153 mg, 0.6053 mmol). The reaction mixture was stirred at 60 C for 3 h and extracted with ethyl acetate. The organic layer was dried over anhydrous Na2SO4, filtered and evaporated. The resulting crude residue was purified by column chromatography (ethyl acetate/Hex 10%) to give the thiophene 8ak (186 mg, 81% yield) a yellow liquid. |
A213335 [68470-59-7]
2-(Bromomethyl)-6-methylpyridine
Similarity: 0.86
A123805 [754131-60-7]
3-Bromo-2-(bromomethyl)pyridine
Similarity: 0.82
A105332 [718608-10-7]
5-(Bromomethyl)-2-methylpyridine hydrobromide
Similarity: 0.80
A202963 [1646152-49-9]
2-(Bromomethyl)-5-chloropyridine hydrobromide
Similarity: 0.78
A213335 [68470-59-7]
2-(Bromomethyl)-6-methylpyridine
Similarity: 0.86
A123805 [754131-60-7]
3-Bromo-2-(bromomethyl)pyridine
Similarity: 0.82
A105332 [718608-10-7]
5-(Bromomethyl)-2-methylpyridine hydrobromide
Similarity: 0.80
A202963 [1646152-49-9]
2-(Bromomethyl)-5-chloropyridine hydrobromide
Similarity: 0.78