데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
99632-94-7- 표준 SMILES
CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccsc2C1=O- InChIKey
ZIGMMUKDYCABPW-UHFFFAOYSA-N- 분자식
- C15H17N3O3S
- 평균 분자량
- 319.4 g/mol
- 단동위원소 질량
- 319.09906259
이름 및 식별자
- 우선 이름
- Ro 19-4603
- IUPAC
- tert-butyl 8-methyl-7-oxo-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraene-11-carboxylate
- 영어명
- 5,6-Dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a]thieno[2,3-f][1,4]diazepine-3-carboxylic acid 1,1-dimethylethyl ester
- 분자식
- C15H17N3O3S
- 분자량
- 319.38
이름 및 동의어
99632-94-7Ro 19-4603RO19-4603Ro-19-4603RO-194603DTXSID90244173tert-butyl 8-methyl-7-oxo-5-thia-1,8,12-triazatricyclo(8.3.0.0^(2,6))trideca-2(6),3,10,12-tetraene-11-carboxylatetert-butyl 8-methyl-7-oxo-5-thia-1,8,12-triazatricyclo[8.3.0.0^{2,6}]trideca-2(6),3,10,12-tetraene-11-carboxylateRefChem:930815DTXCID901666641-(3-((8-acetyl-5,7-dihydroxy-2,2-dimethyl-chromen-6-yl)methyl)-2,6-dihydroxy-4-methoxy-5-methyl-phenyl)ethanonetert-butyl 5-methyl-6-oxo-5,6-dihydro-4h-imidazo[1,5-a]thieno[2,3-f][1,4]diazepine-3-carboxylate
이름 더 보기
Ro 194603,Ro 19 46035,6-Dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a]thieno[2,3-f][1,4]diazepine-3-carboxylicacid1,1-dimethylethylester4H-Imidazo[1,5-a]thieno[2,3-f][1,4]diazepine-3-carboxylic acid, 5,6-dihydro-5-methyl-6-oxo-, 1,1-dimethylethyl ester
Tocris-19955,6-DIHYDRO-5-METHYL-6-OXO-4H-IMIDAZO[1,5-A]THIENO[2,3-F][1,4]DIAZEPINE-3-CARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTERCHEMBL269366tert-Butyl-5,6-dihydro-5-methyl-6-oxo-4H-imidazo(1,5-a)thieno(2,3-f)(1,4)diazepine-3-carboxylatetert-butyl 8-methyl-7-oxo-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraene-11-carboxylateAC1L2RWPZIGMMUKDYCABPW-UHFFFAOYSA-NTocris-1995;
데이터베이스 식별자
- CAS
99632-94-7- PubChem CID
- 127382
- DTXSID
DTXSID90244173- ChEMBL
CHEMBL269366- ChEBI
CHEBI:34952- Nikkaji
- J326.611G
물성
구조 계산 물성보충 중
- XLogP
- 1.9
- 극성 표면적
- 92.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 479
물리화학적 성질
- 저장 조건
- Store at RT
- 용해도
- 31.94 mg/ml · <31.94mg/ml in ethanol; <31.94mg/ml in DMSO
화학 및 산업
응용 분야
용도Ro 19-4603 is a novel benzodiazepine inverse agonist.
공급사9 곳
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]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
BOC Sciences[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
관련 반응
2건
화합물 노트
불러오는 중…