피라루비신(염산염)
Theprubicin
기본 정보
- CAS
95343-20-7- 표준 SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1.Cl- InChIKey
ZPHYPKKFSHAVOE-YZIXBPQXSA-N- 분자식
- C32H38ClNO12
- 평균 분자량
- 664.1 g/mol
- 단동위원소 질량
- 663.2082533
개요
Pirarubicin Hydrochloride is the hydrochloride salt form of pirarubicin, an analogue of the anthracycline antineoplastic antibiotic doxorubicin with antineoplastic activity. Pirarubicin intercalates into DNA and interacts with topoisomerase II, thereby inhibiting DNA replication and repair as well as RNA and protein synthesis. This agent is less cardiotoxic than doxorubicin and exhibits activity against some doxorubicin-resistant cell lines.
이름 및 식별자
- 우선 이름
- Theprubicin
- IUPAC
- (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-[(2R)-oxan-2-yl]oxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
- 현지명
- 피라루비신(염산염)
- 영어명
- Pirarubicin (Hydrochloride)
- 분자식
- C32H38ClNO12
- 분자량
- 664.1
이름 및 동의어
TheprubicinRefChem:1099806Pirarubicin hydrochloride95343-20-7Pirarubicin (Hydrochloride)Pirarubicin HClE7V83174BE(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-[(2R)-oxan-2-yl]oxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloridePinorubinPirarubicinhydrochlorideNSC-333054THP-adriamycin hydrochloride
이름 더 보기
피라루비신(염산염)CS-1183NSC 654509irarubicinTerarubicinTHP hydrochlorideTHP-adriamycin HClPirarubicin Hydrochloride (THP)Doxorubicin Impurity 45 (Pirarubicin) HCl(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-[(2S)-oxan-2-yl]oxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SCHEMBL99651C32H38ClNO12UNII-E7V83174BEorb1737781THEPRUBICIN HYDROCHLORIDECHEMBL6146655NIOSH/QI9339500SCHEMBL29462366
물성
구조 계산 물성
- 극성 표면적
- 204 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,120
물리화학적 성질
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 20.83 mg/mL · DMSO: 20.83 mg/mL (31.37 mM); Water: < 0.1 mg/mL (insoluble)
- 물리적 상태
- Solid
- 색상
- Pink to red
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…