CAS 232271-19-1 (S)-2-(2,6-Dichlorobenzamido)-3-(2',6'-dimethoxy-[1,1'-biphenyl]-4-yl)propanoic acid (HCID 9912743)

기본 정보

CAS: 232271-19-1
표준 SMILES: COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1
InChIKey: DRSJLVGDSNWQBI-SFHVURJKSA-N
분자식: C24H21Cl2NO5
평균 분자량: 474.3 g/mol
단동위원소 질량: 473.0796782

이름 및 식별자

우선 이름: (S)-2-(2,6-Dichlorobenzamido)-3-(2',6'-dimethoxy-[1,1'-biphenyl]-4-yl)propanoic acid
IUPAC: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid
현지명: N-(2,6-디클로로벤조일)-4-(2,6-디메톡시페닐)-L-페닐알라닌
영어명: N-(2,6-Dichlorobenzoyl)-4-(2,6-diMethoxyphenyl)-L-phenylalanine
분자식: C24H21Cl2NO5
분자량: 474.33

이름 및 동의어

232271-19-1TR-14035(S)-2-(2,6-Dichlorobenzamido)-3-(2',6'-dimethoxy-[1,1'-biphenyl]-4-yl)propanoic acidTR 14035N-(2,6-DICHLOROBENZOYL)-4-(2,6-DIMETHOXYPHENYL)-L-PHENYLALANINEMFCD09970400(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic AcidTR14035UW585PBD7SCHEMBL91485[1,1'-Biphenyl]-4-propanoic acid, alpha-[(2,6-dichlorobenzoyl)amino]-2',6'-dimethoxy-, (alphaS)-SB-683698

이름 더 보기

N-(2,6-디클로로벤조일)-4-(2,6-디메톡시페닐)-L-페닐알라닌MDK1191MDK-1191TR-14035, 10 mM in DMSOMDK-1191MDK1191[1,1'-Biphenyl]-4-propanoic acid, α-[(2,6-dichlorobenzoyl)amino]-2',6'-dimethoxy-, (αS)-(alphaS)-alpha-[(2,6-Dichlorobenzoyl)amino]-2',6'-dimethoxy-[1,1'-biphenyl]-4-propanoic acid

(alphaS)-alpha-[(2,6-Dichlorobenzoyl)amino]-2',6'-dimethoxy[1,1'-biphenyl]-4-propanoic acidC24H21Cl2NO5DRSJLVGDSNWQBI-SFHVURJKSA-N(1,1'-Biphenyl)-4-propanoic acid, alpha-((2,6-dichlorobenzoyl)amino)-2',6'-dimethoxy-, (alphaS)-(2S)-2-((2,6-DICHLOROBENZOYL)AMINO)-3-(4-(2,6-DIMETHOXYPHENYL)PHENYL)PROPANOIC ACIDUNII-UW585PBD7S(2S)-2-[(2,6-DICHLOROPHENYL)FORMAMIDO]-3-{2',6'-DIMETHOXY-[1,1'-BIPHENYL]-4-YL}PROPANOIC ACIDorb1225574

물성

구조 계산 물성

XLogP: 5.6
극성 표면적: 84.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 8
무거운 원자 수: 32
형식 전하: 0
복잡도: 606

물리화학적 성질

끓는 점: 604 · 604.0±55.0 °C(Predicted)
밀도: 1.333 · 1.333
저장 조건: 2 · 2-8°C
용해도: 41 mg/mL · DMSO: ≥ 41 mg/mL (86.44 mM)
물리적 상태: 가루
산도 계수 (pKa): 3.53 · 3.53±0.10(Predicted)
색상: White to off-white

화학 및 산업

약리 정보

Metabolism/Metabolites(S)-2-(2,6-Dichlorobenzamido)-3-(2',6'-dimethoxy-[1,1'-biphenyl]-4-yl)propanoic acid has known human metabolites that include 2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-hydroxy-6-methoxyphenyl)phenyl]propanoic acid.

공급사47 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

上海冬洋生物科技有限公司0512-13601744364 13601744364

화합물 노트

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N-(2,6-디클로로벤조일)-4-(2,6-디메톡시페닐)-L-페닐알라닌