Sch-51344

Ras/Rac Transformation Blocker, SCH 51344

HCID 9995890

基本情報

CAS: 171927-40-5
標準SMILES: COc1ccc2nc3n[nH]c(C)c3c(NCCOCCO)c2c1
InChIKey: YWEGXZZAORIRQR-UHFFFAOYSA-N
分子式: C16H20N4O3
平均分子量: 316.35 g/mol
単同位体質量: 316.1535405

概要

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.

名称と識別子

優先名称: Ras/Rac Transformation Blocker, SCH 51344
IUPAC: 2-[2-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol
現地名: Sch-51344
英語名: Ras/Rac Transformation Blocker, SCH 51344
分子式: C16H20N4O3
分子量: 316.36

名称と別名

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

名称をさらに表示

6-メトキシ-N-[2-(2-ヒドロキシエトキシ)エチル]-3-メチル-1H-ピラゾロ[3,4-b]キノリン-4-アミン2-[2-({6-メトキシ-3-メチル-1H-ピラゾロ[3,4-b]キノリン-4-イル}アミノ)エトキシ]エタン-1-オールEthanol, 2-[2-[(6-methoxy-3-methyl-1H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]-

DTXSID10433926GLXC-05548HMS3229N03HMS3674M09EX-A4182BDBM50162076MFCD18447963AKOS024458551

データベース識別子

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

物性

構造計算による物性

XLogP: 1.7
極性表面積: 92.3 Å²
水素結合供与体数: 3
水素結合受容体数: 6
回転可能結合数: 7
重原子数: 23
形式電荷: 0
複雑度: 373

物理化学的性質

沸点: 613.8 · 613.8±55.0 °C(Predicted)
比重(密度): 1.343 · 1.343±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Store at -20°C
溶解性: 31.6 mg/mL · ≥31.6 mg/mL in DMSO
外見: crystalline solid
酸解離定数(Pka): 11.99 · 11.99±0.40(Predicted)
色: 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

安全と法規制

安全データ

wgk: WGK 1
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

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

サプライヤー17 社

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]

補足説明

定義ChEBI: 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

化合物ノート

読み込み中…