[ CAS No. 56672-63-0 ] {[proInfo.proName]}

Name: 56672-63-0|Z-Arg-OH.HCl|98%
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Quality Control of [ 56672-63-0 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 56672-63-0 ]

Product Details of [ 56672-63-0 ]

CAS No. :	56672-63-0	MDL No. :	MFCD00038946
Formula :	C₁₄H₂₁ClN₄O₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HHCPMSWPCALFQJ-MERQFXBCSA-N
M.W :	344.79	Pubchem ID :	13104814
Synonyms :

Calculated chemistry of [ 56672-63-0 ]

Physicochemical Properties

Num. heavy atoms :	23
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.36
Num. rotatable bonds :	11
Num. H-bond acceptors :	5.0
Num. H-bond donors :	5.0
Molar Refractivity :	87.37
TPSA :	137.53 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.4 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	1.41
Log Po/w (WLOGP) :	1.28
Log Po/w (MLOGP) :	0.96
Log Po/w (SILICOS-IT) :	0.09
Consensus Log Po/w :	0.75

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	1.0
Egan :	1.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.33
Solubility :	1.6 mg/ml ; 0.00464 mol/l
Class :	Soluble
Log S (Ali) :	-3.9
Solubility :	0.0432 mg/ml ; 0.000125 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.95
Solubility :	0.386 mg/ml ; 0.00112 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.15

Safety of [ 56672-63-0 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H317-H319	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 56672-63-0 ]

* 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.

Downstream synthetic route of [ 56672-63-0 ]

[ 56672-63-0 ] Synthesis Path-Downstream 1~66

1
[ 26093-31-2 ]
[ 56672-63-0 ]
[ 70375-22-3 ]

Reference： [1]Synthesis,1980,p. 614 - 615

2
[ 56672-63-0 ]
[ 134393-23-0 ]
[ 59188-53-3 ]

Reference： [1]Bulletin of the Chemical Society of Japan,1991,vol. 64,p. 1422 - 1424

3
[ 56672-63-0 ]
[ 49864-48-4 ]
N^α-benzyloxycarbonyl-L-arginyl-L-prolyl-glycine amide hydrchloride [ No CAS ]

Reference： [1]Zeitschrift fur Naturforschung, B: Chemical Sciences,1992,vol. 47,p. 1424 - 1430

4
[ 56672-63-0 ]
[ 19840-99-4 ]
7-(N^α-benzyloxycarbonyl-L-arginylamido)-4-methyl-2-quinolinone [ No CAS ]

Reference： [1]Liebigs Annalen der Chemie,1994,p. 365 - 368

5
[ 56672-63-0 ]
[ 91-59-8 ]
N^α-Benzyloxycarbonyl-L-arginin-<naphthyl-(2)-amid> [ No CAS ]

Reference： [1]Journal of medicinal and pharmaceutical chemistry,1962,vol. 5,p. 852 - 857

6
[ 134-32-7 ]
[ 56672-63-0 ]
N^α-Carbobenzoxy-L-arginin-1-naphthylamid [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1965,vol. 30,p. 1781 - 1785

7
[ 56672-63-0 ]
L-arginine amide hydrochloride [ No CAS ]
N(α)-Carbobenzoxy-L-arginyl-L-arginin-amid, Z-Arg-Arg-NH2 [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1965,vol. 30,p. 1781 - 1785

8
[ 56672-63-0 ]
[ 100-01-6 ]
[ 59188-53-3 ]

Reference： [1]Tetrahedron,1995,vol. 51,p. 11235 - 11250

9
[ 56672-63-0 ]
(4-hydroxyphenyl)(methyl)(benzyl)sulfonium chloride [ No CAS ]
Z-Arg-OBzl [ No CAS ]

Reference： [1]Bulletin of the Chemical Society of Japan,1996,vol. 69,p. 1099 - 1106

10
[ 56672-63-0 ]
((S)-4-Guanidino-1-hydroxycarbamoyl-butyl)-carbamic acid benzyl ester [ No CAS ]

Reference： [1]Synlett,1998,p. 761 - 761

11
[ 15761-39-4 ]
[ 13726-85-7 ]
[ 18942-49-9 ]
[ 56672-63-0 ]
Boc-D-Met-OH, Boc-Leu-OH, Boc-Gly-OH, N^α-Boc-N^ε-Z-Lys-OH, CH3OH [ No CAS ]
[ 101809-80-7 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1163 - 1171

12
[ 56672-63-0 ]
[ 17462-58-7 ]
C₁₅H₁₉ClN₄O₅ [ No CAS ]

Reference： [1]Journal of labelled compounds and radiopharmaceuticals,2000,vol. 43,p. 309 - 322

13
[ 631-61-8 ]
[ 56672-63-0 ]
[ 357977-89-0 ]
N-benzyloxycarbonyl-arginyl-leucyl-leucyl-glycyl-diazomethane [ No CAS ]

Reference： [1]Polish Journal of Chemistry,2001,vol. 75,p. 831 - 837

14
[ 56672-63-0 ]
[ 169157-66-8 ]
[(2-benzyloxycarbonylamino-5-guanidino-pentanoyl)-(2,2-dimethoxy-ethyl)-amino]-acetic acid <i>tert</i>-butyl ester [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 729 - 732

15
[ 56672-63-0 ]
[ 56-81-5 ]
1-O-(N-Cbz-L-arginyl)-rac-glycerol hydrochloride [ No CAS ]

Reference： [1]New Journal of Chemistry,2002,vol. 26,p. 1221 - 1227

16
1-O-(N-Cbz-L-arginyl)-rac-glycerol hydrochloride [ No CAS ]
[ 56672-63-0 ]
[ 56-81-5 ]

Reference： [1]New Journal of Chemistry,2002,vol. 26,p. 1221 - 1227

17
[ 56672-63-0 ]
Decanoic acid 2-((S)-2-amino-5-guanidino-pentanoyloxy)-1-decanoyloxymethyl-ethyl ester; compound with GENERIC INORGANIC NEUTRAL COMPONENT [ No CAS ]

Reference： [1]New Journal of Chemistry,2002,vol. 26,p. 1221 - 1227

18
[ 56672-63-0 ]
Octanoic acid 2-((S)-2-benzyloxycarbonylamino-5-guanidino-pentanoyloxy)-3-octanoyloxy-propyl ester; hydrochloride [ No CAS ]

Reference： [1]New Journal of Chemistry,2002,vol. 26,p. 1221 - 1227

19
[ 56672-63-0 ]
Decanoic acid 2-((S)-2-benzyloxycarbonylamino-5-guanidino-pentanoyloxy)-3-decanoyloxy-propyl ester; hydrochloride [ No CAS ]

Reference： [1]New Journal of Chemistry,2002,vol. 26,p. 1221 - 1227

20
[ 56672-63-0 ]
Decanoic acid 2-((S)-2-benzyloxycarbonylamino-5-guanidino-pentanoyloxy)-1-decanoyloxymethyl-ethyl ester; hydrochloride [ No CAS ]

Reference： [1]New Journal of Chemistry,2002,vol. 26,p. 1221 - 1227

21
[ 56672-63-0 ]
1,2-dimyristoyl-glycero-3-O-L-arginine dihydrochloride [ No CAS ]

Reference： [1]New Journal of Chemistry,2002,vol. 26,p. 1221 - 1227

22
[ 56672-63-0 ]
Dodecanoic acid 2-((S)-2-benzyloxycarbonylamino-5-guanidino-pentanoyloxy)-3-dodecanoyloxy-propyl ester; hydrochloride [ No CAS ]

Reference： [1]New Journal of Chemistry,2002,vol. 26,p. 1221 - 1227

23
[ 56672-63-0 ]
Tetradecanoic acid 2-((S)-2-benzyloxycarbonylamino-5-guanidino-pentanoyloxy)-3-tetradecanoyloxy-propyl ester; hydrochloride [ No CAS ]

Reference： [1]New Journal of Chemistry,2002,vol. 26,p. 1221 - 1227

24
[ 56672-63-0 ]
Tetradecanoic acid 2-((S)-2-benzyloxycarbonylamino-5-guanidino-pentanoyloxy)-1-tetradecanoyloxymethyl-ethyl ester; hydrochloride [ No CAS ]

Reference： [1]New Journal of Chemistry,2002,vol. 26,p. 1221 - 1227

25
[ 56672-63-0 ]
(+)-biotinyl-Arg-Lys-Asp-Val [ No CAS ]

Reference： [1]Journal of labelled compounds and radiopharmaceuticals,2000,vol. 43,p. 309 - 322

26
[ 56672-63-0 ]
H-Arg(HCl)-Lys(Boc)-Asp(Ot-Bu)-Val-Ot-Bu*HCl [ No CAS ]

Reference： [1]Journal of labelled compounds and radiopharmaceuticals,2000,vol. 43,p. 309 - 322

27
[ 56672-63-0 ]
[6-(+)-biotinylamidohexanoyl]-Arg-Lys-Asp-Val [ No CAS ]

Reference： [1]Journal of labelled compounds and radiopharmaceuticals,2000,vol. 43,p. 309 - 322

28
[ 56672-63-0 ]
Z-Arg(HCl)-Lys(Boc)-Asp(Ot-Bu)-Val-Ot-Bu [ No CAS ]

Reference： [1]Journal of labelled compounds and radiopharmaceuticals,2000,vol. 43,p. 309 - 322

29
[ 56672-63-0 ]
[(+)-biotinyl]-Arg(HCl)-Lys(Boc)-Asp(Ot-Bu)-Val-Ot-Bu [ No CAS ]

Reference： [1]Journal of labelled compounds and radiopharmaceuticals,2000,vol. 43,p. 309 - 322

30
[ 56672-63-0 ]
[6-(+)-biotinylamidohexanoyl]-Arg(HCl)-Lys(Boc)-Asp(Ot-Bu)-Val-Ot-Bu [ No CAS ]

Reference： [1]Journal of labelled compounds and radiopharmaceuticals,2000,vol. 43,p. 309 - 322

31
[ 56672-63-0 ]
[ 51952-40-0 ]

Reference： [1]Zeitschrift fur Naturforschung, B: Chemical Sciences,1992,vol. 47,p. 1424 - 1430

32
[ 56672-63-0 ]
Arg(HCl)-Pro-Gly-NH₂ [ No CAS ]

Reference： [1]Zeitschrift fur Naturforschung, B: Chemical Sciences,1992,vol. 47,p. 1424 - 1430

33
[ 56672-63-0 ]
glycyl-L-leucyl-L-arginyl-L-prolyl-glycine amide hydrochloride [ No CAS ]

Reference： [1]Zeitschrift fur Naturforschung, B: Chemical Sciences,1992,vol. 47,p. 1424 - 1430

34
[ 56672-63-0 ]
N^α-benzyloxycarbonylglycyl-L-leucyl-L-arginyl-L-prolyl-glycine amide hydrochloride [ No CAS ]

Reference： [1]Zeitschrift fur Naturforschung, B: Chemical Sciences,1992,vol. 47,p. 1424 - 1430

35
[ 56672-63-0 ]
[ 7182-70-9 ]

Reference： [1]Journal of medicinal and pharmaceutical chemistry,1962,vol. 5,p. 852 - 857

36
[ 67-56-1 ]
[ 56672-63-0 ]
[ 5134-44-1 ]

Reference： [1]Journal of Organic Chemistry,2009,vol. 74,p. 5145 - 5150

37
[ 124-22-1 ]
[ 5134-44-1 ]
[ 259141-27-0 ]
[ 56672-63-0 ]

Reference： [1]ARKIVOC,2010,vol. 2010,p. 34 - 50

38
[ 112-53-8 ]
[ 5134-44-1 ]
Nα-benzyloxycarbonyl-arginine O-dodecyl ester hydrochloride [ No CAS ]
[ 56672-63-0 ]

Reference： [1]ARKIVOC,2010,vol. 2010,p. 34 - 50

39
[ 623-04-1 ]
[ 56672-63-0 ]
(S)-amino((4-(((benzyloxy)carbonyl)amino)-5-((4-(hydroxymethyl)phenyl)amino)-5-oxopentyl)amino)methaniminium chloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
3.985 g	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20℃; for 4.0h;	Cbz-Arg-OH (3.448 g, 10 mmol), HOBT (1.531 g, 10 mmol), 4-aminobenzylalcohol (1.232 g, 10 mmol) and EDCl (2.300 g, 10 mmol) was dissolved in 50 mL DMF. 4.0 hour later, the solvent DMF was removed by high vacuum. The residue was separated by column chromatography 120 g silica gel (gradient: methanol/dichloromethane 5% to 34%), then solvent was removed by rotavap and got 3.985 g light brown solid. 1H NMR (500 MHz, DMSO) delta 10.20 (s, 1H), 7.87 (t, J=5.4 Hz, 1H), 7.61 (dd, J=14.4, 8.1 Hz, 3H), 7.39-7.29 (m, 5H), 7.24 (d, J=8.4 Hz, 2H), 5.14 (t, J=5.7 Hz, 1H), 5.08-4.95 (m, 2H), 4.43 (d, J=5.6 Hz, 2H), 4.19 (dd, J=13.7, 8.3 Hz, 1H), 3.12 (dd, J=12.8, 6.5 Hz, 2H), 1.84-1.70 (m, 1H), 1.69-1.41 (m, 3H). 13C NMR (126 MHz, DMSO) delta 170.65, 156.92, 156.03, 137.54, 137.46, 136.96, 128.35, 127.80, 127.71, 126.85, 118.97, 65.46, 62.57, 54.92, 40.13, 28.94, 25.21. HRMS (ESI) calcd for C21H28N5O4+ (MH+) 414.2136. found 414.2149.

Reference： [1]Patent: US9650414,2017,B1 .Location in patent: Page/Page column 20; 21

40
[ 56672-63-0 ]
amino(((S)-4-((S)-1-((benzyloxy)carbonyl)pyrrolidine-2-carboxamido)-5-((4-(hydroxymethyl)phenyl)amino)-5-oxopentyl)amino)methaniminium chloride [ No CAS ]

Reference： [1]Patent: US9650414,2017,B1

41
[ 56672-63-0 ]
amino(((S)-4-((S)-1-(((benzyloxy)carbonyl)glycyl)pyrrolidine-2-carboxamido)-5-((4-(hydroxymethyl)phenyl)amino)-5-oxopentyl)amino)methaniminium chloride [ No CAS ]

Reference： [1]Patent: US9650414,2017,B1

42
[ 56672-63-0 ]
(5S,8S)-13-amino-8-((4-(hydroxymethyl)phenyl)carbamoyl)-5-isobutyl-3,6-dioxo-1-phenyl-2-oxa-4,7,12-triazatridecan-13-iminium chloride [ No CAS ]

Reference： [1]Patent: US9650414,2017,B1

43
[ 56672-63-0 ]
(4-[({4-[(2S)-2-[(2S)-1-[(benzyloxy)carbonyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]phenyl}methoxy)carbonyl]amino}-1-hydroxy-1-phosphonobutyl)phosphonic acid [ No CAS ]

Reference： [1]Patent: US9650414,2017,B1
[2]Journal of Medicinal Chemistry,2017,vol. 60,p. 7012 - 7028

44
[ 56672-63-0 ]
(4-[({4-[(2S)-2-[(2S)-2-[(benzyloxy)carbonyl]amino}-4-methylpentanamido]-5-carbamimidamidopentanamido]phenyl}methoxy)carbonyl]amino}-1-hydroxy-1-phosphonobutyl)phosphonic acid [ No CAS ]

Reference： [1]Patent: US9650414,2017,B1
[2]Journal of Medicinal Chemistry,2017,vol. 60,p. 7012 - 7028

45
[ 56672-63-0 ]
(4-[({4-[(2S)-2-[(2S)-1-(2-[(benzyloxy)carbonyl]amino}acetyl)pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]phenyl}methoxy)carbonyl]amino}-1-hydroxy-1-phosphonobutyl)phosphonic acid [ No CAS ]

Reference： [1]Patent: US9650414,2017,B1
[2]Journal of Medicinal Chemistry,2017,vol. 60,p. 7012 - 7028

46
[ 56672-63-0 ]
C₁₃H₂₁N₅O₂*ClH [ No CAS ]

Reference： [1]Patent: US9650414,2017,B1

47
[ 56672-63-0 ]
C₁₈H₂₈N₆O₃*ClH [ No CAS ]

Reference： [1]Patent: US9650414,2017,B1

48
[ 56672-63-0 ]
(5S,8S)-13-amino-8-((4-(hydroxymethyl)phenyl)carbamoyl)-5-isobutyl-3,6-dioxo-1-phenyl-2-oxa-4,7,12-triazatridecan-13-iminium chloride [ No CAS ]