기본 정보
- CAS
37293-17-7- 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)NCCCNCCCCNCCCN)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- InChIKey
FOUFFVYWFNBHHH-YNGSZULRSA-N- 분자식
- C60H96N20O21S2
- 평균 분자량
- 1,497.7 g/mol
- 단동위원소 질량
- 1,496.6500325
개요
Bleomycin A6 (also known as boanmycin) has been used in trials studying the treatment of Squamous Cell Lung Cancer. It was developed in China as an antineoplastic antibiotic. This drug participated in clinical trials for the treatment of Squamous Cell Lung Cancer. It was shown that besides the antitumor effect, Bleomycin A6 had the ability to alter the tumor microenvironment and could contribute toward lung cancer relapse and metastasis on long-term treatment. The development of this drug, apparently, was discontinued.
이름 및 식별자
- 우선 이름
- Boanmycin
- IUPAC
- [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,2S)-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)-5-[[(2S,3R)-1-[2-[4-[4-[3-[4-(3-aminopropylamino)butylamino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
- 현지명
- 블레오마이신A6
- 영어명
- bleomycin A6
- 분자식
- C60H96N20O21S2
- 분자량
- 1497.67
이름 및 동의어
Bleomycin A6Boanmycinzhengguangmycin A637293-17-7Pingyangmycin A6bleomycin A-60B19OCB220DTXSID001318678N(sup 1)-(3-((4-((3-Aminopropyl)amino)butyl)amino)propyl)bleomycinamideBleomycinamide, N(sup 1)-(3-((4-((3-aminopropyl)amino)butyl)amino)propyl)-Bleomycinamide, N1-(3-((4-((3-aminopropyl)amino)butyl)amino)propyl)-RefChem:120642
이름 더 보기
블레오마이신A6N1-[3-[[4-[(3-Aminopropyl)amino]butyl]amino]propyl]bleomycinamideBleomycinamide, N1-[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]-
DTXCID701748480((2R,3S,4S,5R,6R)-2-((2R,3S,4S,5S,6S)-2-((1R,2S)-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)-5-(((2S,3R)-1-(2-(4-(4-(3-(4-(3-aminopropylamino)butylamino)propylcarbamoyl)-1,3-thiazol-2-yl)-1,3-thiazol-2-yl)ethylamino)-3-hydroxy-1-oxobutan-2-yl)amino)-3-hydroxy-4-methyl-5-oxopentan-2-yl)amino)-1-(1H-imidazol-5-yl)-3-oxopropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl) carbamateUNII-0B19OCB220orb1982804BLEOMYCIN A6 [WHO-DD]CHEMBL1231529SCHEMBL29822182SCHEMBL31058770
물성
구조 계산 물성
- XLogP
- -8.9
- 극성 표면적
- 734 Ų
- 수소 결합 공여자 수
- 23
- 수소 결합 수용자 수
- 34
- 회전 가능 결합 수
- 44
- 무거운 원자 수
- 103
- 형식 전하
- 0
- 복잡도
- 2,690
물리화학적 성질
- 밀도
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.84 · 10.84±0.46(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 독성
- LD50 intramuscular in mouse: 70530ug/kg
화학 및 산업
공급사3 곳
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
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