Antipain dihydrochloride - CAS 37682-72-7

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

Catalog:	BB023387
Product Name:	Antipain dihydrochloride
CAS:	37682-72-7
Synonyms:	Antipain dihydrochloride from microbial source; N-(Nα-Carbonyl-Arg-Val-Arg-al)-Phe; N2-[((1S)-1-Carboxy-2-phenylethyl)carbamoyl]-N5-(diaminomethylene)-L-ornithyl-N-{5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}-L-valinamide dihydrochloride; L-valinamide, N2-[[((1S)-1-carboxy-2-phenylethyl)amino]carbonyl]-L-arginyl-N-[4-[(aminoiminomethyl)amino]-1-formylbutyl]-, hydrochloride (1:2)

Technical Data

Related CAS:	37691-11-5 (free base)
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;dihydrochloride
Description:	Antipain dihydrochloride, 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:	677.62
Molecular Formula:	C27H44N10O6.2HCl
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.Cl.Cl
InChI:	InChI=1S/C27H44N10O6.2ClH/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);2*1H/t18?,19-,20-,21-;;/m0../s1
InChI Key:	YAHXZYICKJUJEO-PKGYLJHQSA-N
Melting Point:	209-217°C
Purity:	≥95%
Solubility:	Soluble in Water
Appearance:	Pale yellow solid
Storage:	Store at -20°C, sealed storage, away from moisture
LogP:	4.25060

Publication Number	Title	Priority Date
AU-2007332924-A1	Tissue preservation and fixation method	20061030
CA-2667790-C	Tissue preservation and fixation method	20061030
EP-2104420-A2	Tissue preservation and fixation method	20061030
US-2010068690-A1	Tissue preservation and fixation method	20061030
US-2013345075-A1	Tissue Preservation and Fixation Method	20061030

Complexity:	975
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	676.2978846
Formal Charge:	0
Heavy Atom Count:	45
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	11
Isotope Atom Count:	0
Monoisotopic Mass:	676.2978846
Rotatable Bond Count:	19
Topological Polar Surface Area:	283
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0