사고필론
Sagopilone
기본 정보
- CAS
305841-29-6- 표준 SMILES
C=CC[C@H]1C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@H](c2ccc3sc(C)nc3c2)C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@@H]1O- InChIKey
BFZKMNSQCNVFGM-UCEYFQQTSA-N- 분자식
- C30H41NO6S
- 평균 분자량
- 543.7 g/mol
- 단동위원소 질량
- 543.2654592
개요
Sagopilone is a macrolide.
이름 및 식별자
- 우선 이름
- Sagopilone
- IUPAC
- (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
- 현지명
- 사고필론
- 영어명
- Sagopilone
- 분자식
- C30H41NO6S
- 분자량
- 543.71
이름 및 동의어
Sagopilone305841-29-6ZK-EPOZK-219477SH-Y03757ADE-03757KY72JU32FOSagopilonaZK-epothiloneBAY86-5302ZK219477(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-10-(prop-2-enyl)-4,17-dioxabicyclo(14.1.0)heptadecane-5,9-dione
이름 더 보기
사고필론De 03757ZK 219477Unii-ky72ju32foBFZKMNSQCNVFGM-HQMJALQOSA-NDE 03757ZK 219477(1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-5-benzothiazolyl)-10-(2-propen-1-yl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione4,17-Dioxabicyclo[14.1.0]heptadecane-5,9-dione, 7,11-dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-5-benzothiazolyl)-10-(2-propen-1-yl)-, (1S,3S,7S,10R,11S,12S,16R)-
(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-10-(prop-2-en-1-yl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dionesagopilonum(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-10-(prop-2-en-1-yl)-4,17-dioxabicyclo(14.1.0)heptadecane-5,9-dioneRefChem:884373Epothilone ZK2194774,17-Dioxabicyclo(14.1.0)heptadecane-5,9-dione, 7,11-dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-5-benzothiazolyl)-10-(2-propen-1-yl)-, (1S,3S,7S,10R,11S,12S,16R)-EPO-477Sagopilone [USAN:INN]
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 137 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 881
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 711.9 · 711.9±60.0 °C(Predicted)
- 밀도
- 1.153 · 1.153
- 산도 계수 (pKa)
- 13.53 · 13.53±0.70(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 24 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 2 (100%)
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H300
화학 및 산업
약리 정보
Pharmacodynamics
Sagopilone is a highly potent, fully synthetic epothilone that was specifically designed to be safer and more effective than other chemotherapy drugs like paclitaxel and other epothilones for the treatment of solid tumor cancers. In early phase studies, Sagopilone appears to have greater antitumor activity relative to other epothilones, and appears to cross the blood-brain barrier which may help to treat brain tumors or metastases.
Mechanism of Action
Epothilones are a new class of cytotoxic agents that induce tubulin polymerization. Sagopilone, the only fully synthetic, third-generation analogue of epothilone B, is a highly potent tubulin stabilizer that has shown substantial preclinical antitumor activity, including against taxane-resistant models.
MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
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