기본 정보
- CAS
1083065-09-1- 표준 SMILES
COc1ccc(CN2C(=O)[C@H](NC(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)c3ccccc3-c3ccccc32)cc1- InChIKey
IDKCDWYJGGDAKW-BVXIIPPJSA-N- 분자식
- C33H38N2O4
- 평균 분자량
- 526.7 g/mol
- 단동위원소 질량
- 526.2831577
이름 및 식별자
- 우선 이름
- [(R)-5-(4-methoxy-benzyl)-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl]-carbamic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester
- IUPAC
- [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(7R)-5-[(4-methoxyphenyl)methyl]-6-oxo-7H-benzo[d][1]benzazepin-7-yl]carbamate
- 영어명
- [(R)-5-(4-methoxy-benzyl)-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl]-carbamic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester
- 분자식
- C33H38N2O4
- 분자량
- 526.67
이름 및 동의어
1083065-09-1[(R)-5-(4-methoxy-benzyl)-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl]-carbamic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl esterCarbamic acid, N-[(7R)-6,7-dihydro-5-[(4-methoxyphenyl)methyl]-6-oxo-5H-dibenz[b,d]azepin-7-yl]-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl esterIDKCDWYJGGDAKW-BVXIIPPJSA-NDTXSID501100220DB-200652N-[(7R)-6,7-Dihydro-5-[(4-methoxyphenyl)methyl]-6-oxo-5H-dibenz[b,d]azepin-7-yl]-carbamic Acid (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl ester(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl N-[(7R)-6,7-dihydro-5-[(4-methoxyphenyl)methyl]-6-oxo-5H-dibenz[b,d]azepin-7-yl]carb amate
데이터베이스 식별자
- CAS
1083065-09-1- PubChem CID
- 44516083
- DTXSID
DTXSID501100220- Nikkaji
- J2.767.101B
물성
구조 계산 물성
- XLogP
- 7.4
- 극성 표면적
- 67.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 825
물리화학적 성질
- 용해도
- 중수소화 클로로포름에 용해됨
- 물리적 상태
- 기름
- 색상
- 무색
화학 및 산업
응용 분야
용도N-[(7R)-6,7-Dihydro-5-[(4-methoxyphenyl)methyl]-6-oxo-5H-dibenz[b,d]azepin-7-yl]-carbamic Acid (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl ester is an impurity in the synthesis of (S)-7-Amino-5H,7H-dibenzo[b,d]azepin-6-one, a building block for γ-secretase inhibitors for treatment of Alzheimer''s disease. Several γ-secretase inhibitors have been described that contain this compound.
공급사6 곳
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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