6,7-디메톡시-N-(4-페녹시페닐)-

Src Kinase Inhibitor I

HCID 1474853CAS 179248-59-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
InChIKey
DMWVGXGXHPOEPT-UHFFFAOYSA-N
분자식
C22H19N3O3
평균 분자량
373.4 g/mol
단동위원소 질량
373.14264147

개요

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.

이름 및 식별자

우선 이름
Src Kinase Inhibitor I
IUPAC
6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine
현지명
6,7-디메톡시-N-(4-페녹시페닐)-
영어명
6,7-Dimethoxy-N-(4-phenoxyphenyl)-
분자식
C22H19N3O3
분자량
373.41

이름 및 동의어

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
이름 더 보기
6,7-디메톡시-N-(4-페녹시페닐)-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
4.9
극성 표면적
65.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
28

물리화학적 성질

끓는 점
528.151 · 528.151±50.00 °C(Press: 760.00 Torr)(predicted)
밀도
1.267 · 1.267±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
저장 조건
2 · 2-8°C
용해도
10 mg/mL · DMSO: >10mg/mL
물리적 상태
백색분말
산도 계수 (pKa)
6.753 · 6.753±0.30(predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk
3
ridadr
UN 3077 9 / PGIII
risk_code
22-36/37/38
hazard_code
Xn
safety_code
26
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

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

일반 설명A 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).

공급사50 곳

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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