CAS 26305-03-3 Pepstatin (HCID 5478883)

基本情報

CAS: 26305-03-3
標準SMILES: CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C
InChIKey: FAXGPCHRFPCXOO-LXTPJMTPSA-N
分子式: C34H63N5O9
平均分子量: 685.9 g/mol
単同位体質量: 685.4625786

概要

Pepstatin A is a pentapeptide isolated from Streptomyces testaceus. It is a potent inhibitor of aspartyl proteases. It has a role as an EC 3.4.23.* (aspartic endopeptidase) inhibitor and a bacterial metabolite. It is a secondary carboxamide and a pentapeptide. It is a conjugate acid of a pepstatin A(1-).

名称と識別子

優先名称: Pepstatin
IUPAC: (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
英語名: pepstatin
分子式: C34H63N5O9
分子量: 685.89212

名称と別名

pepstatinPepstatin A26305-03-3PepstatinePepstatinaAhpatinin CPepstatinumProcidin S 735APepsin inhibitor S 735ADTXSID7046095V6Y2T27Q1UNSC-272671

名称をさらに表示

Ccris 3603Pepstatin (van)

CHEBI:7989(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acidDTXCID5026095N-Isovaleryl-L-valyl-L-valyl-3-hydroxy-6-methyl-gamma-aminoheptanoyl-L-alanyl-3-hydroxy-6-methyl-gamma-aminoheptanoic acidNSC272671(3S,4S)-3-hydroxy-4-(((2S)-2-(((3S,4S)-3-hydroxy-6-methyl-4-(((2S)-3-methyl-2-(((2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl)amino)butanoyl)amino)heptanoyl)amino)propanoyl)amino)-6-methylheptanoic acidRefChem:860129247-600-0

データベース識別子

CAS: 26305-03-3、39324-30-6
PubChem CID: 5478883
DTXSID: DTXSID7046095
ChEMBL: CHEMBL296588
ChEBI: CHEBI:7989
UNII: V6Y2T27Q1U
EC Number

物性

構造計算による物性

XLogP: 3
極性表面積: 223 Å²
水素結合供与体数: 8
水素結合受容体数: 9
回転可能結合数: 22
重原子数: 48
形式電荷: 0
複雑度: 1,060

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Danger

H300 (33.3%): Fatal if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 1 件

L-Alaninamide, N-(3-methyl-1-oxobutyl)-L-valyl-L-valyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-N-(1S)-1-(1S)-2-carboxy-1-hydroxyethyl-3-methylbutyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 2 (33.3%)

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Agents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585)

Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES).