기본 정보
- CAS
41432-97-7- 표준 SMILES
Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1cnc[nH]1.O=S(=O)(O)O- InChIKey
WUIABRMSWOKTOF-OYALTWQYSA-O- 분자식
- C55H86N17O25S4+
- 평균 분자량
- 1,513.6 g/mol
- 단동위원소 질량
- 1,512.486361
개요
Bleomycin Sulfate is a mixture of the sulfate salts of basic glycopeptide antineoplastic antibiotics isolated from Streptomyces verticillus. Bleomycin sulfate forms complexes with iron that reduce molecular oxygen to superoxide and hydroxyl radicals which cause single- and double-stranded breaks in DNA; these reactive oxygen species also induce lipid peroxidation, carbohydrate oxidation, and alterations in prostaglandin synthesis and degradation.
이름 및 식별자
- 우선 이름
- Bleomycin Sulfate
- IUPAC
- 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium;sulfuric acid
- 영어명
- Bleomycin A2 sulfate
- 분자식
- C55H85N17O25S4
- 분자량
- 1512.62
이름 및 동의어
Bleomycin sulfate9041-93-4BlexaneBleomycin sulphateBleolemBleMomycineBleomycin SulfasBleomycini sulfasBLEOcellOil BleoBleomycins sulfateBleomycin, sulfate (salt)
이름 더 보기
Bleomycin A2 sulfate(3-(2'-(1-(6-Amino-2-(3-amino-1-((2,3-diamino-3-oxopropyl)amino)-3-oxopropyl)-5-methylpyrimidin-4-yl)-3-((((2R,3S,4S,5S,6S)-3-(((2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)t(3-(2'-(1-(6-Amino-2-(3-amino-1-((2,3-diamino-3-oxopropyl)amino)-3-oxopropyl)-5-methylpyrimidin-4-yl)-3-((((2R,3S,4S,5S,6S)-3-(((2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)(1H-imidazol-5-yl)methyl)-7-hydroxy-11-(1-hydroxyethyl)-6,8-dimethyl-1,4,9,12-tetraoxo-2,5,10,13-tetraazapentadecan-15-yl)-[2,4'-bithiazole]-4-carboxamido)propyl)dimethylsulfonium hydrogensulfate
물성
구조 계산 물성
- 극성 표면적
- 768 Ų
- 수소 결합 공여자 수
- 22
- 수소 결합 수용자 수
- 35
- 회전 가능 결합 수
- 36
- 무거운 원자 수
- 101
- 형식 전하
- 1
- 복잡도
- 2,660
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H340 (95.7%): May cause genetic defects [Danger Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Other Safety InformationIMAP assessments - Bleomycin, sulfate (salt): Environment tier I assessment
Hazard Classes and CategoriesMuta. 1B (95.7%)
독성 정보
Health EffectsThe most serious complication of bleomycin is pulmonary fibrosis and impaired lung function. (Wikipedia) Bleomycin can also induce scleroderma (A15410, A15408).
Exposure RoutesIntravenous; systemic absorption is approximately 45%.
Toxicity Summary
It has been suggested that bleomycin induces sensitivity to oxygen toxicity and recent studies support the role of the proinflammatory cytokines IL-18 and IL-1beta in the mechanism of bleomycin-induced lung injury. (Wikipedia) In primary pulmonary endothelial cells, bleomycin initiates apoptosis via the extrinsic pathway (A15408). In relation to bleomycin-induced scleroderma, bleomycin exerts various effects on skin-constituted cells such as fibroblasts, keratinocytes, and endothelial cells, as well as immunocytes. Bleomycin upregulates gene expression of ECM proteins as well as fibrogenic cytokines such as TGF-β and CTGF in cultured human skin fibroblasts. Also, in vitro studies showed a dose-dependent stimulation of endothelial cell secretion of collagen synthesis by bleomycin, which was inhibited by the anti-TGF-β antibody. (A15409).
화학 및 산업
약리 정보
Metabolism/MetabolitesHepatic
Route of Elimination: It was reported that patients with moderately severe renal failure excreted less than 20% of the dose in the urine.
Half Life: 115 minutes
FDA Pharmacological Classification
BLEOMYCIN SULFATE
Cytoprotective Agent [EPC]
MeSH Pharmacological ClassificationChemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
용도 및 제조
UsesFor palliative treatment in the management malignant neoplasm (trachea, bronchus, lung), squamous cell carcinoma, and lymphomas.
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