Ras/Rac Transformation Blocker, SCH 51344

HCID 9995890

기본 정보

CAS: 171927-40-5
표준 SMILES: COc1ccc2nc3n[nH]c(C)c3c(NCCOCCO)c2c1
InChIKey: YWEGXZZAORIRQR-UHFFFAOYSA-N
분자식: C16H20N4O3
평균 분자량: 316.35 g/mol
단동위원소 질량: 316.1535405

개요

SCH51344 is a pyrazoloquinoline that is 6-methoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline bearing an additional 2-[(2-hydroxyethoxy)ethyl]amino substituent at position 4. It has a role as an antineoplastic agent. It is a primary alcohol, an aromatic amine, an aromatic ether, a secondary amino compound and a pyrazoloquinoline.

이름 및 식별자

우선 이름: Ras/Rac Transformation Blocker, SCH 51344
IUPAC: 2-[2-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol
영어명: Ras/Rac Transformation Blocker, SCH 51344
분자식: C16H20N4O3
분자량: 316.36

이름 및 동의어

171927-40-5SCH 51344SCH-51344Ras/Rac Transformation Blocker, SCH 51344SCH513442-[2-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanolCHEMBL37939012-[2-[(6-Methoxy-3-methyl-1H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol2-{2-[(6-methoxy-3-methyl-1H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy}ethanolorb1704997SCHEMBL29911258CHEBI:77556

이름 더 보기

Ethanol, 2-[2-[(6-methoxy-3-methyl-1H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]-

DTXSID10433926GLXC-05548HMS3229N03HMS3674M09EX-A4182BDBM50162076MFCD18447963AKOS024458551

데이터베이스 식별자

CAS: 171927-40-5
PubChem CID: 9995890
DTXSID: DTXSID10433926
ChEMBL: CHEMBL3793901
ChEBI: CHEBI:77556
Nikkaji: J687.374J

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 92.3 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 6
회전 가능 결합 수: 7
무거운 원자 수: 23
형식 전하: 0
복잡도: 373

물리화학적 성질

끓는 점: 613.8 · 613.8±55.0 °C(Predicted)
밀도: 1.343 · 1.343±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: 31.6 mg/mL · ≥31.6 mg/mL in DMSO
물리적 상태: 결정질 고체
산도 계수 (pKa): 11.99 · 11.99±0.40(Predicted)
색상: White to yellow
InChI: 1S/C16H20N4O3/c1-10-14-15(17-5-7-23-8-6-21)12-9-11(22-2)3-4-13(12)18-16(14)20-19-10/h3-4,9,21H,5-8H2,1-2H3,(H2,17,18,19,20)
InChIKey: YWEGXZZAORIRQR-UHFFFAOYSA-N
SMILES: [nH]1nc(c2c1nc3c(c2NCCOCCO)cc(cc3)OC)C

안전 및 규제

안전 데이터

wgk: WGK 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도SCH 51344 is a pyrazolo-quinoline derivative that inhibits Ras-induced malignant transformation and prevents anchorage-independant growth of oncogene transformed fibroblasts.

공급사17 곳

沈阳中申泽康生物医学技术研究有限公司024-88590548 18698872706 · [email protected]

Aladdin Scientific[email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]

MedBio脉铂医药021-69568360 18916172912 · [email protected]

추가 설명

정의ChEBI: A pyrazoloquinoline that is 6-methoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline bearing an additional 2-[(2-hydroxyethoxy)ethyl]amino substituent at position 4

화합물 노트

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