기본 정보
- CAS
96251-59-1- 표준 SMILES
COc1cccc2c1[C@H](CO)N1[C@@H](C#N)[C@@H]3C[C@@H](C(=O)O)[C@H]([C@@H]1C2)N3C- InChIKey
YGWHMSNGVVTUIT-XZTJDVGNSA-N- 분자식
- C19H23N3O4
- 평균 분자량
- 357.4 g/mol
- 단동위원소 질량
- 357.16885622
개요
7-Cyanoquinocarcinol is a semisynthetic analogue of the Streptomyces melanovinaceus-derived tetracyclic antitumor antibiotic quinocarmycin with potential antineoplastic activity. Quinocarmycin belongs to the naphthyridinomycin/saframycin class of antitumor antibiotics. These antibiotics appear to act through DNA alkylation.
이름 및 식별자
- 우선 이름
- DX 52-1
- IUPAC
- (1R,2S,10R,12R,13S,15R)-12-cyano-10-(hydroxymethyl)-8-methoxy-16-methyl-11,16-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4(9),5,7-triene-15-carboxylic acid
이름 및 동의어
DX-52-196251-59-1DX 52-1UNII-64T9QZ8N2YCCRIS 93937-Cyanoquinocarcinol7-Cyano-5,7,8,9,10,11,11a,12-octahydro-5-(hydroxymethyl)-4-methoxy-13-methyl-8,11-iminoazepino(1,2-b)isoquinoline-10-carboxylic acid8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 7-cyano-5,7,8,9,10,11,11a,12-octahydro-5-(hydroxymethyl)-4-methoxy-13-methyl-8,11-IMINOAZEPINO(1,2-B)ISOQUINOLINE-10-CARBOXYLIC ACID, 7-CYANO-5,7,8,9,10,11,11A,12-OCTAHYDRO-5-(HYDROXYMETHYL)-4-METHOXY-13-METHYL-, (5R,7R,8S,10R,11R,11AS)-(+)-DX 52-1RefChem:136029NSC607097
이름 더 보기
64T9QZ8N2Y(1R,2S,10R,12R,13S,15R)-12-Cyano-10-(hydroxymethyl)-8-methoxy-16-methyl-11,16-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4(9),5,7-triene-15-carboxylic acidNSC-607097DX52-1Q27263793
데이터베이스 식별자
- CAS
96251-59-1- PubChem CID
- 9863558
- UNII
- 64T9QZ8N2Y
물성
구조 계산 물성
- XLogP
- -1.7
- 극성 표면적
- 97 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 619
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
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