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tert-butyl 4-((5-bromo-3-(((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-2-methylphenyl)(methyl)amino)piperidin-1-carboxylate | 1403257-59-9

分子结构分类

有机化合物 - 苯类化合物 - 苯和取代衍生物

中文名称

——

中文别名

——

英文名称

tert-butyl 4-((5-bromo-3-(((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-2-methylphenyl)(methyl)amino)piperidin-1-carboxylate

英文别名

Tert-butyl 4-((5-bromo-3-(((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl) methyl)carbamoyl)-2-methylphenyl)(methyl)amino)piperidin-1-carboxylate；tert-butyl 4-[5-bromo-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N,2-dimethylanilino]piperidine-1-carboxylate

tert-butyl 4-((5-bromo-3-(((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-2-methylphenyl)(methyl)amino)piperidin-1-carboxylate化学式

CAS

1403257-59-9

化学式

C₂₇H₃₇BrN₄O₄

mdl

——

分子量

561.519

InChiKey

DDOHIVGPZVBQAS-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

687.7±55.0 °C(Predicted)
密度：

1.286±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

辛醇/水分配系数(LogP)：

4.4
重原子数：

36
可旋转键数：

7
环数：

3.0
sp3杂化的碳原子比例：

0.52
拓扑面积：

91
氢给体数：

2
氢受体数：

5

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	tert-butyl 4-(5-bromo-3-(methoxycarbonyl)-2-methylphenyl(methyl)amino)piperidine-1-carboxylate	1403257-58-8	C₂₀H₂₉BrN₂O₄	441.365
——	tert-butyl 4-((5-bromo-3-(methoxycarbonyl)-2-methylphenyl)amino)piperidin-1-carboxylate	1403257-57-7	C₁₉H₂₇BrN₂O₄	427.338

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	3-((1-acetylpiperidin-4-yl)(methyl)amino)-5-bromo-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methylbenzamide	1403590-62-4	C₂₄H₃₁BrN₄O₃	503.439
——	5-bromo-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-3-(methyl(piperidin-4-yl)amino)benzamide	1403590-51-1	C₂₂H₂₉BrN₄O₂	461.402
——	5-bromo-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-3-(methyl(1-pivaloylpiperidin-4-yl)amino)benzamide	1403590-53-3	C₂₇H₃₇BrN₄O₃	545.52
——	tert-butyl 4-((5-(((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-4'-((dimethylamino)methyl)-4-methyl-[1,1'-biphenyl]-3-yl)(methyl)amino)piperidine-1-carboxylate	1403257-67-9	C₃₆H₄₉N₅O₄	615.816
——	tert-butyl 4-((5-(((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-4-methyl-4'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)(methyl)amino)piperidine-1-carboxylate	1403257-61-3	C₃₈H₅₁N₅O₅	657.853
——	tert-butyl 4-((3-(((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-2-methyl-5-(1-methyl-1H-pyrazol-4-yl)phenyl)(methyl)amino)piperidine-1-carboxylate	1403259-19-7	C₃₁H₄₂N₆O₄	562.712
——	tert-butyl 4-((3-(((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl) carbamoyl)-5-(6-formylpyridin-3-yl)-2-methylphenyl)(methyl)amino) piperidine-1-carboxylate	1403257-66-8	C₃₃H₄₁N₅O₅	587.719
——	tert-butyl 4-((3-(((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-5-(6-((dimethylamino)methyl)pyridin-3-yl)-2-methylphenyl)(methyl)amino)piperidine-1-carboxylate	1403259-20-0	C₃₅H₄₈N₆O₄	616.804
——	N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-4'-((dimethylamino)methyl)-4-methyl-5-(methyl(piperidin-4-yl)amino)-[1,1'-biphenyl]-3-carboxamide	1403254-82-9	C₃₁H₄₁N₅O₂	515.699
——	tert-butyl 4-((3-(((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-2-methyl-5-(1-(2-morpholinoethyl)-1H-pyrazol-4-yl)phenyl)(methyl)amino)piperidine-1-carboxylate	1403259-18-6	C₃₆H₅₁N₇O₅	661.845
——	tert-butyl 4-((3-(((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-2-methyl-5-(6-(morpholinomethyl)pyridin-3-yl)phenyl)(methyl)amino)piperidine-1-carboxylate	1403259-17-5	C₃₇H₅₀N₆O₅	658.841
——	N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-4-methyl-5-(methyl(piperidin-4-yl)amino)-4'-(morpholinomethyl)-[1,1'-biphenyl]-3-carboxamide	1403254-65-8	C₃₃H₄₃N₅O₃	557.736
——	N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-3-(methyl(piperidin-4-yl)amino)-5-(1-methyl-1H-pyrazol-4-yl)benzamide	1403254-81-8	C₂₆H₃₄N₆O₂	462.595
——	N-((4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-yl)methyl)-5-(6-((dimethylamino)methyl)pyridin-3-yl)-2-methyl-3-(methyl(piperidin-4-yl)amino)benzamide	1403254-94-3	C₃₀H₄₀N₆O₂	516.687
——	N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-3-(methyl(piperidin-4-yl)amino)-5-(1-(2-morpholinoethyl)-1H-pyrazol-4-yl)benzamide	1403254-80-7	C₃₁H₄₃N₇O₃	561.728
——	N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-3-(methyl(piperidin-4-yl)amino)-5-(6-(morpholinomethyl)pyridin-3-yl)benzamide	1403254-79-4	C₃₂H₄₂N₆O₃	558.724

反应信息

作为反应物：

描述：

tert-butyl 4-((5-bromo-3-(((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-2-methylphenyl)(methyl)amino)piperidin-1-carboxylate 在三氟乙酸作用下，以二氯甲烷、二甲基亚砜为溶剂，反应 1.25h，生成 3-((1-acetylpiperidin-4-yl)(methyl)amino)-5-bromo-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methylbenzamide

参考文献：

名称：

[EN] SUBSTITUTED BENZENE COMPOUNDS
[FR] COMPOSÉS DE BENZÈNES SUBSTITUÉS

摘要：

本发明涉及取代苯化合物。本发明还涉及含有这些化合物的药物组合物，以及通过向需要的受试者投与这些化合物和药物组合物来治疗癌症的方法。本发明还涉及利用这些化合物进行研究或其他非治疗目的的用途。

公开号：

WO2012142513A1
作为产物：

描述：

2-甲基-3-硝基苯甲酸在 1,3-二溴-5,5-二甲基海因、硫酸、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、水、铁粉、 sodium carbonate 、氯化铵、 caesium carbonate 、溶剂黄146 、 sodium hydroxide 作用下，以甲醇、 1,1-二氯乙烷、乙醇、水、二甲基亚砜、 N,N-二甲基甲酰胺、乙腈为溶剂，反应 41.17h，生成 tert-butyl 4-((5-bromo-3-(((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-2-methylphenyl)(methyl)amino)piperidin-1-carboxylate

参考文献：

名称：

Aryl- or Heteroaryl-Substituted Benzene Compounds

摘要：

本发明涉及芳基或杂芳基取代的苯化合物。本发明还涉及含有这些化合物的药物组合物，以及通过向需要的受试者投与这些化合物和药物组合物来治疗癌症的方法。本发明还涉及利用这些化合物进行研究或其他非治疗目的的用途。

公开号：

US20120264734A1

点击查看最新优质反应信息

文献信息

Aryl- or Heteroaryl-Substituted Benzene Compounds

申请人：KUNTZ KEVIN W.

公开号：US20120264734A1

公开（公告）日：2012-10-18

The present invention relates to aryl- or heteroaryl-substituted benzene compounds. The present invention also relates to pharmaceutical compositions containing these compounds and methods of treating cancer by administering these compounds and pharmaceutical compositions to subjects in need thereof. The present invention also relates to the use of such compounds for research or other non-therapeutic purposes.

本发明涉及芳基或杂芳基取代的苯化合物。本发明还涉及含有这些化合物的药物组合物，以及通过向需要的受试者投与这些化合物和药物组合物来治疗癌症的方法。本发明还涉及利用这些化合物进行研究或其他非治疗目的的用途。
Aryl- or heteroaryl-substituted benzene compounds

申请人：Epizyme, Inc.

公开号：US08765732B2

公开（公告）日：2014-07-01

The present invention relates to aryl- or heteroaryl-substituted benzene compounds. The present invention also relates to pharmaceutical compositions containing these compounds and methods of treating cancer by administering these compounds and pharmaceutical compositions to subjects in need thereof. The present invention also relates to the use of such compounds for research or other non-therapeutic purposes.

本发明涉及芳基或杂芳基取代的苯化合物。本发明还涉及含有这些化合物的制药组合物，并通过将这些化合物和制药组合物用于需要的患者治疗癌症的方法。本发明还涉及将这些化合物用于研究或其他非治疗目的的用途。
Substituted Benzene Compounds

申请人：Kuntz Kevin Wayne

公开号：US20140142083A1

公开（公告）日：2014-05-22

The present invention relates to substituted benzene compounds. The present invention also relates to pharmaceutical compositions containing these compounds and methods of treating cancer by administering these compounds and pharmaceutical compositions to subjects in need thereof. The present invention also relates to the use of such compounds for research or other non-therapeutic purposes.

本发明涉及取代苯化合物。本发明还涉及含有这些化合物的制药组合物以及通过将这些化合物和制药组合物用于需要治疗的受试者的方法来治疗癌症。本发明还涉及将这些化合物用于研究或其他非治疗目的的使用。
Dihidropyridin-2-one benzamine compounds

申请人：Kuntz Kevin Wayne

公开号：US09376422B2

公开（公告）日：2016-06-28

The present invention relates to substituted benzene compounds. The present invention also relates to pharmaceutical compositions containing these compounds and methods of treating cancer by administering these compounds and pharmaceutical compositions to subjects in need thereof. The present invention also relates to the use of such compounds for research or other non-therapeutic purposes.

本发明涉及取代苯化合物。本发明还涉及含有这些化合物的制药组合物以及通过向需要这些化合物和制药组合物的受试者施用这些化合物和制药组合物治疗癌症的方法。本发明还涉及将这些化合物用于研究或其他非治疗目的的用途。
ARYL- OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS

申请人：Epizyme, Inc.

公开号：US20150353494A1

公开（公告）日：2015-12-10

The present invention relates to aryl- or heteroaryl-substituted benzene compounds. The present invention also relates to pharmaceutical compositions containing these compounds and methods of treating cancer by administering these compounds and pharmaceutical compositions to subjects in need thereof. The present invention also relates to the use of such compounds for research or other non-therapeutic purposes.

本发明涉及芳基或杂环芳基取代的苯化合物。本发明还涉及包含这些化合物的制药组合物以及通过将这些化合物和制药组合物用于需要治疗癌症的受试者的方法。本发明还涉及将这种化合物用于研究或其他非治疗目的的使用。