6,7-ジメトキシ-N-(4-フェノキシフェニル)-4-キナゾリンアミン

Src Kinase Inhibitor I

HCID 1474853
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基本情報

CAS
179248-59-0
標準SMILES
COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
InChIKey
DMWVGXGXHPOEPT-UHFFFAOYSA-N
分子式
C22H19N3O3
平均分子量
373.4 g/mol
単同位体質量
373.14264147

概要

Src Inhibitor-1 is a member of the class of quinazolines that is quinazoline which is substituted at position 4 by a p-phenoxyanilino group and at positions 6 and 7 by methoxy groups. It is a potent, competitive dual site (both the ATP- and peptide-binding) Src kinase inhibitor. Src Inhibitor-1 is one of the 'gold standards' for Src kinase inhibition that has been shown to use PP1 or PP2 in parallel with Src-I1 to inhbit Src family kinases. It has a role as an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is an aromatic ether, a member of quinazolines, a polyether and a secondary amino compound.

名称と識別子

優先名称
Src Kinase Inhibitor I
IUPAC
6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine
現地名
6,7-ジメトキシ-N-(4-フェノキシフェニル)-4-キナゾリンアミン
英語名
6,7-Dimethoxy-N-(4-phenoxyphenyl)-
分子式
C22H19N3O3
分子量
373.41

名称と別名

179248-59-0Src Kinase Inhibitor ISrc Inhibitor-16,7-dimethoxy-N-(4-phenoxyphenyl)-4-quinazolinamineSrc-l1SKI-14-(4'-PHENOXYANILINO)-6,7-DIMETHOXYQUINAZOLINECHEBI:78332DTXSID50363056(4'-oxyphenyl-phenylamino)-6,7-dimethoxyquinazolineRefChem:185203DTXCID90314103
名称をさらに表示
6,7-ジメトキシ-N-(4-フェノキシフェニル)-4-キナゾリンアミンSRCインヒビター1N-(4-フェノキシフェニル)-6,7-ジメトキシ-4-キナゾリンアミンN-(4-フェノキシフェニル)-6,7-ジメトキシキナゾリン-4-アミン6,7-ジメトキシ-N-(4-フェノキシフェニル)キナゾリン-4-アミンEdrHHATMar2HB-1MART2MEF3L
Src Inhibitor 16,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amineSrc I14-Quinazolinamine, 6,7-dimethoxy-N-(4-phenoxyphenyl)-MFCD01815300CHEMBL97771Src Kinase Inhibitor 1;Src-l1Src-I1

データベース識別子

CAS
179248-59-0
PubChem CID
1474853
DTXSID
DTXSID50363056
ChEMBL
CHEMBL97771
ChEBI
CHEBI:78332
EC Number
686-974-3
Nikkaji
J1.446.049G

物性

構造計算による物性

XLogP
4.9
極性表面積
65.5 Ų
水素結合供与体数
1
水素結合受容体数
6
回転可能結合数
6
重原子数
28

物理化学的性質

沸点
528.151 · 528.151±50.00 °C(Press: 760.00 Torr)(predicted)
比重(密度)
1.267 · 1.267±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
貯蔵温度
2 · 2-8°C
溶解性
10 mg/mL · DMSO：>10mg/mL
外見
白い粉
酸解離定数(Pka)
6.753 · 6.753±0.30(predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk
3
ridadr
UN 3077 9 / PGIII
risk_code
22-36/37/38
hazard_code
Xn
safety_code
26
ストレージクラス
11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用Src Kinase inhibitor 1 lung cancers with EGF receptor abnormalities and is a potential candidate for mol.-targeted therapy

一般的な説明A potent, selective, dual site, cell-permeable, reversible and ATP-competitive inhibitor of Src tyrosine kinase (IC50 = 44 nM and 88 nM for Src and Lck, respectively). Shown to simultaneously interact with both the ATP- and peptide-binding sites. Inhibits VEGFR2 and c-fms tyrosine kinases only at higher concentrations (IC50 = 320 nM and 30 μM, respectively).

サプライヤー67 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]

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