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Huagongshe 오픈 프로젝트:[email protected]AI 접속: llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.7.8
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  2. /화합물

펩스타틴 A

3-Hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoylamino]-6-methyl-heptanoic acid

HCID 4742
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
26305-03-3
표준 SMILES
CC(C)CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(O)CC(=O)NC(C)C(=O)NC(CC(C)C)C(O)CC(=O)O)C(C)C)C(C)C
InChIKey
FAXGPCHRFPCXOO-UHFFFAOYSA-N
분자식
C34H63N5O9
평균 분자량
685.9 g/mol
단동위원소 질량
685.4625786

개요

See also: Pepstatin (annotation moved to).

이름 및 식별자

우선 이름
3-Hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoylamino]-6-methyl-heptanoic acid
IUPAC
3-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoylamino]-6-methylheptanoic acid
현지명
펩스타틴 A
영어명
Pepstatin
분자식
C34H63N5O9
분자량
685.89

이름 및 동의어

C34H63N5O939324-30-6N-(3-Methyl-1-oxobutyl)-L-valyl-L-valyl-4-amino-3-hydroxy-6-methylheptanoyl-L-alanyl-4-amino-3-hydroxy-6-methylheptanoic acidCHEMBL38526SCHEMBL19665773pepstatin A ~120'000 U/mgHMS3374B07HMS3745M07IPA-4397-Vs73813-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoylamino]-6-methyl-heptanoic acidHeptanoic acid, N-(3-methyl-1-oxobutyl)-L-valyl-L-valyl-4-amino-3-hydroxy-6-methylheptanoyl-L-alanyl-4-amino-3-hydroxy-6-methyl-
이름 더 보기
펩스타틴A펩스타틴A(PEPSTATINA)PEPSTATIN AIVA-VAL-VAL-STA-ALA-STAISOVALERYL-VAL-VAL-STA-ALA-STA-OH(3S,4S)-4-AMINO-3-HYDROXY-6-METHYL-HEPTANOIC ACIDCPSDCLN10PEPSTATINPepstainAahpatininc

물성

구조 계산 물성

XLogP
3
극성 표면적
223 Ų
수소 결합 공여자 수
8
수소 결합 수용자 수
9
회전 가능 결합 수
22
무거운 원자 수
48
형식 전하
0
복잡도
1,060

물리화학적 성질

녹는점
233 °C · 233 °C (dec.)(lit.)
끓는 점
695.91 °C · 695.91°C (rough estimate)
밀도
1.134 · 1.1340 (rough estimate)
굴절률
1.75 · 1.7500 (estimate)
저장 조건
2 · 2-8°C
용해도
10 % · 메탄올 중 10% 아세트산: 1 mg/mL
물리적 상태
흰색 고체
산도 계수 (pKa)
4.17 · 4.17±0.10(Predicted)
색상
무색 바늘
생물학적 소스
synthetic
수용성
이는 메탄올(9:1 메탄올:아세트산)(1 mg/ml), 에탄올(1-2 mg/ml, 최대 60°C의 열) 중 10%(v/v) 아세트산, DMSO( 5mg/ml), 메탄올(1mg/ml) 및 아세트산. 벤젠, 클로로포름, 물, 1M NaOH 및 에테르에 용해되지 않습니다.
Specific Activity
100 · ≥100,000U/mg
BRN
2201362 · 2201362
안정성
안정적인. 강염기, 강산과 호환되지 않습니다.
InChIKey
JKGWASGTXVCDML-LXTPJMTPSA-N
SMILES
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O

화학적 성질

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

wgk
2
rtecs
SC6155000
독성
LD50 in mice, rats, rabbits, dogs (mg/kg): 1090, 875, 820, 450 i.p.; all >2000 orally (Umezawa, 1970)
HS 번호
29241990
safety_code
22-24/25
기존화학 물질
KE-24658
F 고인화성물질
10
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 3건

개요Pepstatin A is a bacterial-derived chemotactic pentapeptide that irreversibly inhibits aspartic proteases, including pepsin, gastricsin, renin, cathepsin E, and cathepsin D. Pepstatin A has been reported to stimulate human neutrophil degranulation (EC50 = 0.75 μM) and super oxide production (EC50 = 1.5 μM). Pepstatin A has been widely used as a research tool in studies of protease mechanisms and biological functions and has been examined as a therapeutic agent for inflammatory conditions including gastric ulcer, edema, and hypertension.

용도Pepstatin A are natural, statine-containing peptides that acts as inhibitor of aspartic protease enzymes.

일반 설명Pepstatin A is a naturally occurring chemotactic peptide and inhibitor of aspartic proteases that was initially isolated from culture filtrates of various Actinomycetes species, with the initial name simply of “pepstatin”. This name was later modified to “pepstatin A” to distinguish the original pepstatin from later derivatives. Pepstatin A notably contains the unusual amino acid 4-amino-hydroxy-6-methylheptanoic acid (AHMHA), which is known also as statine. The amino acid sequence of pepstatin A is N-Isovaleryl-L-Valyl-L-Valyl-AHMHA-L-Alanyl-AHMHA.

상·하류 제품 정보

상류 원료

FMOC-Ala-OHFmoc-Sta-OHFMOC-L-Valine이소발레릴산피페리딘N,N-다이메틸폼아마이드N,N-다이아이소프로필에틸아민디클로로메탄

공급사100 곳

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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
HEL-S-130P
Isovaleryl-L-Valyl-L-Valyl[(3S,4S)-4-Amino-3-Hydroxy-6-Methylheptanoyl]-L-Alanyl [(3S,4S)-4-Amino-3-Hydroxy-6-Methylheptanoic Acid]

데이터베이스 식별자

CAS
26305-03-3
PubChem CID
4742
ChEMBL
CHEMBL38526

solid

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