기본 정보
- CAS
186692-44-4- 표준 SMILES
CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1- InChIKey
BTIHMVBBUGXLCJ-UHFFFAOYSA-N- 분자식
- C19H26N6O
- 평균 분자량
- 354.4 g/mol
- 단동위원소 질량
- 354.21680947
개요
2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol is a thiopurine.
이름 및 식별자
- 우선 이름
- 2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine
- IUPAC
- 2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
- 현지명
- 셀리시클립
- 영어명
- SELICICLIB
- 분자식
- C19H26N6O
- 분자량
- 354.45
이름 및 동의어
2-(1-ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurineRefChem:909045186692-44-42-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanolSeliciclib, (+/-)-(Rac)-RoscovitineSeliciclib, (RS)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-olSeliciclib (+/-)-form [MI]2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-olAIR55KO85ECHEMBL52387
이름 더 보기
셀리시클립1-Butanol, 2-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-
2-((6-(Benzylamino)-9-isopropyl-9H-purin-2-yl)amino)butan-1-ol1-Butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-(+/-)-Roscovitine(+/-)-seliciclibRoscovitine, (S)-IsomerUNII-AIR55KO85EC19H26N6O(R,S)-Roscovitine
데이터베이스 식별자
- CAS
186692-44-4- PubChem CID
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 87.9 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 417
물리화학적 성질
- 끓는 점
- 577.5 · 577.5±60.0 °C(Predicted)
- 밀도
- 1.25 · 1.25
- 산도 계수 (pKa)
- 14.56 · 14.56±0.10(Predicted)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Agents that inhibit PROTEIN KINASES.
공급사24 곳
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海波以尔化工有限公司[email protected]
InvivoChem中国13549236410 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
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