Antipain - CAS 37691-11-5

Name: Antipain
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023392
Product Name:	Antipain
CAS:	37691-11-5
Synonyms:	[(S)-1-Carboxy-2-phenylethyl]carbamoyl-L-arginyl-L-valyl-argininal; L-valinamide, N2-[[((1S)-1-carboxy-2-phenylethyl)amino]carbonyl]-L-arginyl-N-[4-[(aminoiminomethyl)amino]-1-formylbutyl]-; Phe-CO-Arg-Val-L-Arg-H; N2-{[(1S)-1-Carboxy-2-phenylethyl]carbamoyl}-N5-(diaminomethylene)-L-ornithyl-N-{5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}-L-valinamide
Application:	Protease Inhibitors

Technical Data

Related CAS:	37682-72-7 (dihydrochloride)
IUPAC Name:	(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid
Description:	Antipain, a protease inhibitor isolated from Actinomycetes, inhibits N-methyl-N'-nitro-N-nitrosoguanidine (MNNG)-induced transformation and increases chromosomal aberration. It restricts DNA synthesis and function of mice uterus.
Molecular Weight:	604.70
Molecular Formula:	C27H44N10O6
Canonical SMILES:	CC(C)C(C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C(CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O
InChI:	InChI=1S/C27H44N10O6/c1-16(2)21(23(40)34-18(15-38)10-6-12-32-25(28)29)37-22(39)19(11-7-13-33-26(30)31)35-27(43)36-20(24(41)42)14-17-8-4-3-5-9-17/h3-5,8-9,15-16,18-21H,6-7,10-14H2,1-2H3,(H,34,40)(H,37,39)(H,41,42)(H4,28,29,32)(H4,30,31,33)(H2,35,36,43)/t18?,19-,20-,21-/m0/s1
InChI Key:	SDNYTAYICBFYFH-KTYMLHDXSA-N
Purity:	95%
Density:	1.38 g/cm³
Appearance:	Yellow powder
Storage:	Store at -20°C
LogP:	2.64660

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
33380422	20210101	Cell autonomous angiotensin II signaling controls the pleiotropic functions of oncogenic K-Ras	The Journal of biological chemistry
27594668	20161101	Identification and characterization of a chymotrypsin-like serine protease from periodontal pathogen, Tannerella forsythia	Microbial pathogenesis
22910577	20121201	Stability and antioxidant activity of gossypol derivative immobilized on N-polyvinylpyrrolidone	International journal of biological macromolecules
22788994	20120801	Update on carbonic anhydrase inhibitors: a patent review (2008 - 2011)	Expert opinion on therapeutic patents
22206819	20120301	Longistatin is an unconventional serine protease and induces protective immunity against tick infestation	Molecular and biochemical parasitology

Complexity:	975
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	4
Defined Bond Stereocenter Count:	0
Exact Mass:	604.34452916
Formal Charge:	0
Heavy Atom Count:	43
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	9
Isotope Atom Count:	0
Monoisotopic Mass:	604.34452916
Rotatable Bond Count:	19
Topological Polar Surface Area:	283 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-2.7