기본 정보
- CAS
133407-86-0- 표준 SMILES
CCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1- InChIKey
QEJRGURBLQWEOU-FKBYEOEOSA-N- 분자식
- C25H39N3O5
- 평균 분자량
- 461.6 g/mol
- 단동위원소 질량
- 461.28897135
개요
N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester is a peptide.
이름 및 식별자
- 우선 이름
- MG-115
- IUPAC
- benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
- 영어명
- MG-115
- 분자식
- C25H39N3O5
- 분자량
- 461.6
이름 및 동의어
MG-115133407-86-0MG115benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]carbamateDTXSID00432100MG 115benzyl N-((2S)-4-methyl-1-(((2S)-4-methyl-1-oxo-1-(((2S)-1-oxopentan-2-yl)amino)pentan-2-yl)amino)-1-oxopentan-2-yl)carbamateRefChem:158464DTXCID50382929Z-LL-Nva-CHOCbz-Leu-Leu-norvalinalcarbobenzoxy-leucyl-leucyl-norvalinal
이름 더 보기
Z-LLnV(S)-MG115MG115, Z-LLnVZ-LEU-LEU-NVA-HZ-LEU-LEU-NVA-CHOz-leu-leu-norvalinalZ-LEU-LEU-NVA-ALDEHYDEMG-115 (DMSO solution)
SCHEMBL2140161Benzyl ((S)-4-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxopentan-2-yl)amino)pentan-2-yl)amino)-1-oxopentan-2-yl)carbamateNCGC00345815-01HY-108552N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]carbamic acid (phenylmethyl) esterC25H39N3O5Curator_000004CHEMBL4518490
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 617
물리화학적 성질
- 끓는 점
- 678.8 · 678.8±55.0 °C(Predicted)
- 밀도
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 용해도
- DMSO: 용해될 수 있다
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 11.14 · 11.14±0.46(Predicted)
- 색상
- 하얀색
- InChIKey
- WVUWUETVYUPHEM-FKBYEOEOSA-N
- SMILES
- C(N)(=O)[C@H](CC(C)C)N(C(=O)[C@H](CC(C)C)NC(OCC1=CC=CC=C1)=O)[C@H](C=O)CCC
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationCompounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES).
응용 분야
개요(S)-MG115 is a potent and reversible proteasome inhibitor, targeting the chymotryptic site on the 20S particle (Ki = 21 nM). It reduces the degradation of ubiquitin-conjugated proteins in extracts. (S)-MG115 also blocks the degradation of long- and short-lived proteins in intact cells as well as the proteolytic generation of diverse proteins, including NF-κB, antigens, and p53. Proteasome inhibitors, including (S)-MG115, can induce a heat shock response and apoptosis, particularly in cancer cells.
용도MG-115 is a compound that inhibits the chymotrypsin-like activity of the proteasome.
일반 설명Potent reversible proteasome inhibitor (Ki = 21 nM and 35 nM for 20S and 26S proteasome, respectively).
공급사48 곳
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
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