4-(Chloromethyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)benzamide

HCID 10181075CAS 404844-11-7

기본 정보

표준 SMILES: Cc1ccc(NC(=O)c2ccc(CCl)cc2)cc1Nc1nccc(-c2cccnc2)n1
InChIKey: WUGWDFMSJPJUEZ-UHFFFAOYSA-N
분자식: C24H20ClN5O
평균 분자량: 429.9 g/mol
단동위원소 질량: 429.135638

이름 및 식별자

우선 이름: 4-(Chloromethyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)benzamide
IUPAC: 4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
영어명: 4-Chloromethyl-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide
분자식: C24H20ClN5O
분자량: 429.9

이름 및 동의어

404844-11-7493YC8TX2Q4-(Chloromethyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)benzamide4-(chloromethyl)-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamideRefChem:10700664-(Chloromethyl)-N-(4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)benzamide4-Chloromethyl-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamidePDGFR|A kinase inhibitor 24-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamideN-[4-Methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-4-chloromethyl BenzamideMFCD098410014-(CHLOROMETHYL)-N-(4-METHYL-3-{[4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENYL)BENZAMIDE

이름 더 보기

Imatinib Impurity 43Imatinib impurities3PDGFRα kinase inhibitor 2Imatinib genotoxic impurity D9Imatinib Impurity B/ Imatinib Impurity 14-Chloromethyl-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-y...N-[5[[4-(Chloromethyl)benzoyl]amino]-2-methylphenyl]4-(3-pyridyl)-2-pyrimidineN-[5-[[4-(Chloromethyl)benzoyl]amino]-2-methylphenyl]-4-(3-pyridyl)-2-pyrimidineamineBenzamide, 4-(chloromethyl)-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-

CHEMBL17657154-(chloromethyl)-n-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)benzamide4-(Chloromethyl)-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide4-(chloromethyl)-N-{4-methyl-3-[4-(pyridin-3-yl)pyrimidin-2-ylamino]phenyl}benzamide4-chloromethyl-N-(4-methyl-3-((4-pyridin-3-yl)-pyrimidin-2-ylamino)-phenyl)-benzamide4-chloromethyl-N-{4-methyl-3-[(4-pyridin-3-yl)-pyrimidin-2-ylamino]-phenyl}-benzamideN-(5-(4-chloromethylbenzoylamino)-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidine-amineN-[5-(4-chloromethylbenzoylamino)-2-methylphenyl]-4-(3-pyridyl)-2-pyrimidine-amine

데이터베이스 식별자

CAS: 404844-11-7
PubChem CID: 10181075
DTXSID: DTXSID30436494
ChEMBL: CHEMBL1765715
UNII: 493YC8TX2Q
Nikkaji: J3.130.643D

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 79.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 31
형식 전하: 0
복잡도: 570

물리화학적 성질

녹는점: 300 °C · 300°C (dec)
밀도: 1.329 · 1.329
저장 조건: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 12.99 · 12.99±0.70(Predicted)
색상: 옅은 노란색에서 밝은 베이지색까지

화학적 성질

Off-White Solid

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도Gleevec Impurity

상·하류 제품 정보

상류 원료

공급사50 곳

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Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

연결된 노트

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