N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine

HCID 2051CAS 153436-53-4
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기본 정보

표준 SMILES
COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
InChIKey
GFNNBHLJANVSQV-UHFFFAOYSA-N
분자식
C16H14ClN3O2
평균 분자량
315.75 g/mol
단동위원소 질량
315.07745437

개요

Tyrphostin AG 1478 is a member of the class of quinazolines that is quinazoline substituted by methoxy groups at positions 6 and 7 and a (3-chlorophenyl)nitrilo group at position 4. It acts as an epidermal growth factor receptor antagonist. It has a role as a geroprotector, an antiviral agent, an antineoplastic agent and an epidermal growth factor receptor antagonist. It is an aromatic ether, a member of quinazolines and a member of monochlorobenzenes.

이름 및 식별자

우선 이름
N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
IUPAC
N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine
영어명
Ag 1478 hydrochloride
분자식
C16H14ClN3O2
분자량
315.75

이름 및 동의어

153436-53-4AG-14784-Quinazolinamine, N-(3-chlorophenyl)-6,7-dimethoxy-N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamineAG-1478 free baseSUH0SEZ9HYNSC-693255(3-Chlorophenyl)(6,7-dimethoxyquinazolin-4-yl)amineRefChem:389357Tyrphostin AG 1478N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine175178-82-2
이름 더 보기
-1478)AG1478HClNSC 693255AG-1478, >98%AG-1478 AG1478AG-1478 (NSC-693255)-1478 (Tyrphostin AgAg 1478 hydrochlorideAG-1478, 10 mM in DMSO
Tyrphostin AG-1478AG 14784-(3-Chloroanilino)-6,7-dimethoxyquinazolineAG1478tyrphostin AG1478MFCD00270914AG-1478 (Tyrphostin AG-1478)DTXSID0051447

데이터베이스 식별자

CAS
153436-53-4
PubChem CID
2051
DTXSID
DTXSID0051447
ChEMBL
CHEMBL7917
ChEBI
CHEBI:75404
UNII
SUH0SEZ9HY
EC Number
640-463-1
Nikkaji
J864.152H

물성

구조 계산 물성

XLogP
4
극성 표면적
56.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
4
무거운 원자 수
22

실험 및 물리화학적 성질

LogP3.51
Collision Cross Section177.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0051447]

물리화학적 성질

녹는점
247 °C · 247 °C(dec.)
끓는 점
458.5 · 458.5±45.0 °C(Predicted)
밀도
1.337 · 1.337
저장 조건
2 · Keep in dark place,Inert atmosphere,2-8°C
용해도
2 O; · insoluble in H2O; ≥15.8 mg/mL in DMSO; ≥2.38 mg/mL in EtOH with gentle warming
산도 계수 (pKa)
5.54 · 5.54±0.30(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

rtecs
VA0953000
HS 번호
29339900

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

응용 분야

용도A highly potent and specific EGFR tyrosine kinase inhibitor with an IC50 of 3 nM.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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