기본 정보
- CAS
135911-02-3- 표준 SMILES
COc1ccccc1CC(=N)N1C[C@@H]2C(=O)CCC(c3ccccc3)(c3ccccc3)[C@@H]2C1- InChIKey
VWBOQFANCXZMAU-LOSJGSFVSA-N- 분자식
- C29H30N2O2
- 평균 분자량
- 438.6 g/mol
- 단동위원소 질량
- 438.2307282
개요
structure given in first source; RP 68651 is the inactive (3aS,7aS)-isomer; substance P antagonist
이름 및 식별자
- 우선 이름
- (3aR,7aR)-Octahydro-2-(1-imino-2-(2-methoxyphenyl)ethyl)-7,7-diphenyl-4H-isoindol-4-one
- IUPAC
- (3aR,7aR)-2-[2-(2-methoxyphenyl)ethanimidoyl]-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-4-one
- 영어명
- (3AR,7AR)-OCTAHYDRO-2-[1-IMINO-2-(2-METHOXYPHENYL)ETHYL]-7,7-DIPHENYL-4H-ISOINDOL-4-ONE
- 분자식
- C29H30N2O2
- 분자량
- 438.56
이름 및 동의어
135911-02-3RP-6758049U9M41BGY4H-Isoindol-4-one, octahydro-2-(1-imino-2-(2-methoxyphenyl)ethyl)-7,7-diphenyl-, (3aR,7aR)-7,7-Diphenyl-2-(1-imino-2-(2-methoxyphenyl)ethyl)perhydroisoindol-4-one4H-Isoindol-4-one, octahydro-2-(1-imino-2-(2-methoxyphenyl)ethyl)-7,7-diphenyl-, (3aR-cis)-(3AR,7AR)-OCTAHYDRO-2-[1-IMINO-2-(2-METHOXYPHENYL)ETHYL]-7,7-DIPHENYL-4H-ISOINDOL-4-ONE(3aR,7aR)-Octahydro-2-(1-imino-2-(2-methoxyphenyl)ethyl)-7,7-diphenyl-4H-isoindol-4-oneRefChem:905963RP 67580RP67580(3aR,7aR)-2-(1-Imino-2-(2-methoxyphenyl)ethyl)-7,7-diphenylhexahydro-1H-isoindol-4(2H)-one
이름 더 보기
Rp 68651(3aR,7aR)-Octahydro-2-(1-imino-2-(2-methoxyphenyl)ethyl)-7,7-diphenyl-4H-isoindol
CHEMBL131171(3aR,7aR)-2-[2-(2-methoxyphenyl)ethanimidoyl]-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-4-one(3aR,7aR)-2-[2-(2-methoxyphenyl)ethanimidoyl]-7,7-di(phenyl)-1,3,3a,5,6,7a-hexahydroisoindol-4-oneTocris-1635UNII-49U9M41BGYVWBOQFANCXZMAU-LOSJGSFVSA-NGTPL3522orb1704146
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 53.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 676
물리화학적 성질
- 저장 조건
- 4 °C · Store at +4°C
- 용해도
- 100 mM · Soluble to 100 mM in ethanol and to 50 mM in DMSO
- 물리적 상태
- 가루
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationCompounds that inhibit or block the activity of NEUROKININ-1 RECEPTORS.
응용 분야
용도RP 67580 is a neurokinin-1 receptor (NK1) antagonist.
공급사12 곳
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [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]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
BOC Sciences[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
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