기본 정보
- CAS
205678-31-5- 표준 SMILES
CNc1cccc(CCOc2ccc3c(c2)CN(CC(F)(F)F)C(=O)[C@H](CC(=O)O)C3)n1- InChIKey
KSSPHFGIOASRDE-HNNXBMFYSA-N- 분자식
- C22H24F3N3O4
- 평균 분자량
- 451.4 g/mol
- 단동위원소 질량
- 451.17189091
이름 및 식별자
- 우선 이름
- SB-273005
- IUPAC
- 2-[(4S)-8-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid
- 영어명
- (S)-2-(8-(2-(6-(methylamino)pyridin-2-yl)ethoxy)-3-oxo-2-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-yl)acetic acid
- 분자식
- C22H24F3N3O4
- 분자량
- 451.44
이름 및 동의어
205678-31-5SB-273005HG7MY8V9AAUNII-HG7MY8V9AA1H-2-Benzazepine-4-acetic acid, 2,3,4,5-tetrahydro-8-(2-(6-(methylamino)-2-pyridinyl)ethoxy)-3-oxo-2-(2,2,2-trifluoroethyl)-, (4S)-RefChem:181572SB2730052-[(4S)-8-[2-[6-(methylamino)pyridin-2-yl]ethoxy]-3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acidCHEMBL86992(4S)-2,3,4,5-Tetrahydro-8-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-3-oxo-2-(2,2,2-trifluoroethyl)-1H-2-benzazepine-4-acetic acidSCHEMBL244675orb1685632
이름 더 보기
CAS:205678-31-5[8-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-3-oxo-2-(2,2,2-trifluoro-ethyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-yl]-acetic acid1H-2-Benzazepine-4-acetic acid, 2,3,4,5-tetrahydro-8-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-3-oxo-2-(2,2,2-trifluoroethyl)-, (4S)-(S)-2-(8-(2-(6-(methylamino)pyridin-2-yl)ethoxy)-3-oxo-2-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-yl)acetic acid(S)-2-(8-(2-(6-(methylamino)pyridin-2-yl)ethoxy)-3-oxo-2-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-yl)acetic acid USP/EP/BP
SCHEMBL29571589SCHEMBL29899937DTXSID501381531FIA67831BDBM50083763EX-A10248SB 273005 [WHO-DD]AKOS027323781
데이터베이스 식별자
- CAS
205678-31-5- PubChem CID
- 9868426
- DTXSID
DTXSID501381531- ChEMBL
CHEMBL86992- UNII
- HG7MY8V9AA
- Nikkaji
- J3.297.428G
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 91.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 648
물리화학적 성질
- 끓는 점
- 662.9 · 662.9±55.0 °C(Predicted)
- 밀도
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 4.32 · 4.32±0.10(Predicted)
- 색상
- White to off-white
화학 및 산업
공급사38 곳
南京迪恩赛尔生物科技有限公司19951952469 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
淄博彬莱医药科技有限公司15963310191 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
苏州氟洛科医药技术有限公司0512-62706796 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海萄普生物医药技术有限公司15900573766 18018507602 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
관련 반응
1건
화합물 노트
불러오는 중…