(S)-N-((S)-1-(((2R,4S)-1,2-dihydroxy-2,6-dimethyl-3-oxoheptan-4-yl)amino)-1-oxo-3-phenylpropan-2-yl)-4-methyl-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamide

HCID 86715358

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1541172-75-1
표준 SMILES: CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@](C)(O)CO
InChIKey: ABPYUKBBMCBILQ-NZTKNTHTSA-N
분자식: C40H59N5O8
평균 분자량: 737.9 g/mol

이름 및 식별자

우선 이름: (S)-N-((S)-1-(((2R,4S)-1,2-dihydroxy-2,6-dimethyl-3-oxoheptan-4-yl)amino)-1-oxo-3-phenylpropan-2-yl)-4-methyl-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamide
IUPAC: (2S)-N-[(2S)-1-[[(2R,4S)-1,2-dihydroxy-2,6-dimethyl-3-oxoheptan-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanamide
영어명: Carfilzomib Impurity 2
분자식: C40H59N5O8
분자량: 737.93

이름 및 동의어

1541172-75-1UNII-9C19QCY050Carfilzomib metabolite M16(S)-N-((S)-1-(((2R,4S)-1,2-dihydroxy-2,6-dimethyl-3-oxoheptan-4-yl)amino)-1-oxo-3-phenylpropan-2-yl)-4-methyl-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamide9C19QCY050Deepoxy ethane-1,2-diol carfilzomibPR-519(2S)-N-[(2S)-1-[[(2R,4S)-1,2-dihydroxy-2,6-dimethyl-3-oxoheptan-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanamideL-Phenylalaninamide, (alphaS)-alpha-((2-(4-morpholinyl)acetyl)amino)benzenebutanoyl-L-leucyl-N-((1S,3R)-3,4-dihydroxy-3-methyl-1-(2-methylpropyl)-2-oxobutyl)-Kyprolis Impurity Vorb3144022SCHEMBL15412526

이름 더 보기

Carfilzomib Impurity VCarfilzomib Impurity 2 (PR-519M16, Carfilzomib (2R,4S)-Diol)L-Phenylalaninamide, (αS)-α-[[2-(4-morpholinyl)acetyl]amino]benzenebutanoyl-L-leucyl-N-[(1S,3R)-3,4-dihydroxy-3-methyl-1-(2-methylpropyl)-2-oxobutyl]-(S)-N-((S)-1-(((2R,4S)-1,2-Dihydroxy-2,6-dimethyl-3-oxoheptan-4-yl)amino)-1-oxo-3-phenylpropan-2-yl)-4-methyl-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pe

ABPYUKBBMCBILQ-NZTKNTHTSA-NCarfilzomib Impurity V (Pr-519)TYD-03361(S)-N-((S)-1-(((2R,4S)-1,2-dihydroxy-2,6-di methyl-3-oxoheptan-4-yl)amino)-1-oxo-3-phenylpropan-2-yl)-4-methyl-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamide(S)-N-((S)-1-(((2R,4S)-1,2-dihydroxy-2,6-dimethyl-3-oxoheptan-4-yl)amino)-1-oxo-3-phenylpropan-2-yl)-4-methyl-2-((S)-2-(2-morpholino acetamido)-4-phenylbutanamido)pentanamideL-PHENYLALANINAMIDE, (.ALPHA.S)-.ALPHA.-((2-(4-MORPHOLINYL)ACETYL)AMINO)BENZENEBUTANOYL-L-LEUCYL-N-((1S,3R)-3,4-DIHYDROXY-3-METHYL-1-(2-METHYLPROPYL)-2-OXOBUTYL)-

데이터베이스 식별자

CAS: 1541172-75-1
PubChem CID: 86715358
UNII: 9C19QCY050

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 186 Å²
수소 결합 공여자 수: 6
수소 결합 수용자 수: 9
회전 가능 결합 수: 21
무거운 원자 수: 53
형식 전하: 0
복잡도: 1,170

물리화학적 성질

끓는 점: 1023.6 · 1023.6±65.0 °C(Predicted)
밀도: 1.173 · 1.173±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 12.12 · 12.12±0.29(Predicted)
색상: 흰색에서 황백색까지
안정성: 흡습성
InChIKey: ABPYUKBBMCBILQ-RVAZOSSWNA-N
SMILES: C(NC(CC1=CC=CC=C1)C(N[C@@H](CC(C)C)C(=O)[C@](O)(C)CO)=O)(=O)[C@@H](NC(=O)[C@@H](NC(CN1CCOCC1)=O)CCC1=CC=CC=C1)CC(C)C |&1:12,19,26,30,r|

화학 및 산업

응용 분야

용도Carfilzomib (2R,4S)-Diol is a derivative of Carflizomib (C183460), a second-generation proteasome inhibitor that is used as a treatment in relapsed and refractory multiple myeloma.