N-(3-(4-(3-ピリジル)ピリミジン-2-イルアミノ)-4-メチルフェニル)-4-クロロメチルベンズアミド

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

HCID 10181075

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 404844-11-7
標準SMILES: Cc1ccc(NC(=O)c2ccc(CCl)cc2)cc1Nc1nccc(-c2cccnc2)n1
InChIKey: WUGWDFMSJPJUEZ-UHFFFAOYSA-N
分子式: C24H20ClN5O
平均分子量: 429.9 g/mol
単同位体質量: 429.135638

名称と識別子

優先名称: 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
現地名: N-(3-(4-(3-ピリジル)ピリミジン-2-イルアミノ)-4-メチルフェニル)-4-クロロメチルベンズアミド
英語名: 4-Chloromethyl-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide
分子式: C24H20ClN5O
分子量: 429.9

名称と別名

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

名称をさらに表示

4-(クロロメチル)-N-(4-メチル-3-{[4-(ピリジン-3-イル)ピリミジン-2-イル]アミノ}フェニル)ベンズアミドN-(3-(4-(3-ピリジル)ピリミジン-2-イルアミノ)-4-メチルフェニル)-4-クロロメチルベンズアミドN-[3-[[4-(3-ピリジニル)ピリミジン-2-イル]アミノ]-4-メチルフェニル]-4-(クロロメチル)ベンズアミド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

データベース識別子

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

物性

構造計算による物性

XLogP: 4.3
極性表面積: 79.8 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 6
重原子数: 31
形式電荷: 0
複雑度: 570

物理化学的性質

融点: 300 °C · 300°C (dec)
比重(密度): 1.329 · 1.329
貯蔵温度: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
溶解性: Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
外見: Solid
酸解離定数(Pka): 12.99 · 12.99±0.70(Predicted)
色: Pale Yellow to Light Beige
CAS データベース: 404844 · 404844-11-7