N,N-dimethyl-N'-pyridin-4-ylmethylethane-1,2-diamine

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N-dimethyl-N'-pyridin-4-ylmethylethane-1,2-diamine
• 英文别名: N-((pyridin-4-yl)methyl)-N',N'-dimethylethylenediamine；1-(4-pyridyl)-5-methyl-2,5-diazahexane；N,N-Dimethyl-N'-pyridin-4-ylmethyl-ethane-1,2-diamine；N',N'-dimethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
• 化学式: C₁₀H₁₇N₃
• mdl: MFCD03856647
• 分子量: 179.265
• InChiKey: QQSDZNWIOXPTLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  28.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N-dimethyl-N'-pyridin-4-ylmethylethane-1,2-diamine 、 (isoquinolin-5-yl)carbamic acid phenyl ester 以 二甲基亚砜 为溶剂， 反应 2.0h， 以9.6 mg的产率得到1-(2-(dimethylamino)ethyl)-3-(isoquinolin-5-yl)-1-((pyridin-4-yl)methyl)urea
  参考文献：
  名称：

  COMPOUNDS FOR INHIBITING AGC KINASE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME

  摘要：

  提供公式(I)的化合物或其药用盐。在公式(I)中，Ar是吲唑，5-异喹啉，6-异喹啉或它们的N-氧化物。X为—C(═Z)—，其中Z为N—CN，NH，NR4，NCOR4，NCONR4R5，NCO-芳基，S或O。Y和J独立地为H，烷基，芳基，氨基烷基，—NH2，—CN，—OH，—O-烷基，—O-芳基，—COOH，—COOR4，—CONHR4，—CONHCH2-芳基，—CONR4CH2-芳基，—NHCOR4，卤素，卤代烷基，-烷基-OR4，-烷基-ONO2，烷基-ONO2，—OCOOR4，—O(C═O)-芳基，—CHR4OH，—CH2OH，—CH2O(C═O)-芳基，—CH2O(C═O)—R4，—CHR4O(C═O)-芳基，—CHR4O(C═O)—R4，不饱和羧酸酯，取代炔烃基，—NHSO2R4，—SO2R4，—SO2NHR4或—SO2NR4R5，或Y和J结合在一起形成环，其中R4和R5独立地为H，取代的C1-C6烷基，取代的芳基，环烷基，烷基芳基，-烷基-NR6R7，—S(O)0-2-(烷基-NR6R7)。R1，R2和R3为H，C1-C6烷基，环烷基，芳基，烷基芳基，烷基杂芳基，烷基杂环，其中任意一个可以选择地取代一个或多个OH，NO2或NR8R9。

  公开号：

  US20190194137A1

文献信息

• [EN] CXCR7 RECEPTOR MODULATORS<br/>[FR] MODULATEURS DU RÉCEPTEUR DE CXCR7
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2014191929A1

  公开（公告）日：2014-12-04

  The present invention relates to derivatives of formula (I) Formula (I) wherein (R1)n, R 2a, R 2b, R 3a, R 3b, R 4, L1, L2, X, Y and Ar1 are as described in the description, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of formula (I), and especially to their use as CXCR7 receptor modulators.

  本发明涉及公式（I）的衍生物 公式（I）其中（R1）n，R 2a，R 2b，R 3a，R 3b，R 4，L1，L2，X，Y 和 Ar1 如描述中所述，其制备方法，其药学上可接受的盐，以及其作为药物的用途，含有一个或多个公式（I）化合物的药物组合物，特别是其作为CXCR7受体调节剂的用途。
• CXCR7 RECEPTOR MODULATORS
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：US20160107997A1

  公开（公告）日：2016-04-21

  The present invention relates to derivatives of formula (I) wherein (R 1 ) n , R 2a , R 2b , R 3a , R 3b , R 4 , L 1 , L 2 , X, Y and Ar 1 are as described in the description, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of formula (I), and especially to their use as CXCR7 receptor modulators.

  本发明涉及公式（I）的衍生物，其中（R1）n，R2a，R2b，R3a，R3b，R4，L1，L2，X，Y和Ar1如描述中所述，其制备方法，其制备的药学上可接受的盐，以及它们作为药物的用途，包括含有一个或多个公式（I）化合物的药物组合物，尤其是它们作为CXCR7受体调节剂的用途。
• ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS
  申请人：Industrial Technology Research Institute

  公开号：EP3505513A1

  公开（公告）日：2019-07-03

  A compound of formula (I) or a pharmaceutically acceptable salt thereof is provided. In formula (I), Ar is indazole, 5-isoquinoline, 6-isoquinoline, or their N-oxide. X is -C(=Z)-, wherein Z is N-CN, NH, NR4, NCOR4, NCONR4R5, NCO-aryl, S, or O. Y and J are independently H, alkyl, aryl, aminoalkyl, -NH2, -CN, -OH, -O-alkyl, -O-aryl, -COOH, -COOR4, -CONHR4, -CONHCH2-aryl, -CONR4CH2-aryl,-NHCOR4, halogen, halogened alkyl, -alkyl-OR4, -O-alkyl-OR4, -alkyl-ONO2, O-alkyl-ONO2, -OCOOR4, -O(C=O)-aryl, -CHR4OH, -CH2OH, -CH2O(C=O)-aryl,-CH2O(C=O)-R4, -CHR4O(C=O)-aryl, -CHR4O(C=O)-R4, unsaturated carboxylic ester, substituted alkynyl, -NHSO2R4, -SR4, -SO2R4, -SO2NHR4, or -SO2NR4R5, or Y and J bond together to form a carbocylic or aromatic ring, wherein R4 and R5 are independently H, substituted C1-C6 alkyl, substituted aryl, cycloalkyl, alkylaryl,-alkyl-NR6R7, -alkyl-OR6, -alkyl-ONO2, -S(O)0-2-(alkyl-NR6R7). R1, R2 and R3 are H, C1-C6 alkyl, cycloalkyl, aryl, alkylaryl, alkylheteroaryl, alkylheterocycle, wherein any one thereof is optionally substituted with one or more of OH, NO2, or NR8R9.

  提供了一种式（I）化合物或其药学上可接受的盐。在式 (I) 中，Ar 是吲唑、5-异喹啉、6-异喹啉或它们的 N-氧化物。X 是-C(=Z)-，其中 Z 是 N-CN、NH、NR4、NCOR4、NCONR4R5、NCO-芳基、S 或 O。Y 和 J 独立地为 H、烷基、芳基、氨基烷基、-NH2、-CN、-OH、-O-烷基、-O-芳基、-COOH、-COOR4、-CONHR4、-CONHCH2-芳基、-CONR4CH2-芳基、-NHCOR4、卤素、卤代烷基、-alkyl-OR4、-O-alkyl-OR4、-alkyl-O 、O-alkyl-O 、-OCOOR4、-O(C=O)-芳基、-CHR4OH、- H、-CH2O(C=O)-芳基、- (C=O)-R4、-CHR4O(C=O)-芳基、-CHR4O(C=O)-R4、不饱和羧酸酯、取代的炔基、-NHSO2R4、-SR4、-SO2R4、-SO2NHR4 或 -SO2NR4R5，或 Y 和 J 键合形成碳环或芳环，其中 R4 和 R5 独立地为 H、取代的 C1-C6 烷基、取代的芳基、环烷基、烷芳基、-烷基-NR6R7、-烷基-OR6、-烷基-O 、-S(O)0-2-(烷基-NR6R7)。R1、R2 和 R3 为 H、C1-C6 烷基、环烷基、芳基、烷芳基、烷基杂芳基、烷基杂环基，其中任意一个任选被 OH、NO2 或 NR8R9 中的一个或多个取代。
• Compounds for inhibiting AGC kinase and pharmaceutical compositions comprising the same
  申请人：Industrial Technology Research Institute

  公开号：US10696638B2

  公开（公告）日：2020-06-30

  A compound of formula (I) or a pharmaceutically acceptable salt thereof is provided. In formula (I), Ar is indazole, 5-isoquinoline, 6-isoquinoline, or their N-oxide. X is —C(═Z)—, wherein Z is N—CN, NH, NR4, NCOR4, NCONR4R5, NCO-aryl, S, or O. Y and J are independently H, alkyl, aryl, aminoalkyl, —NH2, —CN, —OH, —O-alkyl, —O-aryl, —COOH, —COOR4, —CONHR4, —CONHCH2-aryl, —CONR4CH2-aryl, —NHCOR4, halogen, halogened alkyl, -alkyl-OR4, -alkyl-ONO2, alkyl-ONO2, —OCOOR4, —O(C═O)-aryl, —CHR4OH, —CH2OH, —CH2O(C═O)-aryl, —CH2O(C═O)—R4, —CHR4O(C═O)-aryl, —CHR4O(C═O)—R4, unsaturated carboxylic ester, substituted alkynyl, —NHSO2R4, —SO2R4, —SO2NHR4, or —SO2NR4R5, or Y and J bond together to form a carbocylic or aromatic ring, wherein R4 and R5 are independently H, substituted C1-C6 alkyl, substituted aryl, cycloalkyl, alkylaryl, -alkyl-NR6R7, —S(O)0-2-(alkyl-NR6R7). R1, R2 and R3 are H, C1-C6 alkyl, cycloalkyl, aryl, alkylaryl, alkylheteroaryl, alkylheterocycle, wherein any one thereof is optionally substituted with one or more of OH, NO2, or NR8R9.

  提供了一种式（I）化合物或其药学上可接受的盐。在式 (I) 中，Ar 是吲唑、5-异喹啉、6-异喹啉或它们的 N-氧化物。X是-C(═Z)-，其中Z是N-CN、NH、NR4、NCOR4、NCONR4R5、NCO-芳基、S或O。Y 和 J 独立地为 H、烷基、芳基、氨基烷基、-NH2、-CN、-OH、-O-烷基、-O-芳基、-COOH、-COOR4、-CONHR4、-CONHCH2-芳基、-CONR4CH2-芳基、-NHCOR4、卤素，卤代烷基，-alkyl-OR4，-alkyl-O ，alkyl-O ，-OCOOR4，-O(C═O)-芳基，-CHR4OH，- H，-CH2O(C═O)-芳基，- (C═O)-R4，-CHR4O(C═O)-芳基、-CHR4O(C═O)-R4、不饱和羧酸酯、取代的炔基、-NHSO2R4、-SO2R4、-SO2NHR4 或 -SO2NR4R5，或 Y 和 J 键合形成碳环或芳香环，其中 R4 和 R5 独立地为 H、取代的 C1-C6 烷基、取代的芳基、环烷基、烷芳基、-烷基-NR6R7、-S(O)0-2-(烷基-NR6R7)。R1、R2 和 R3 为 H、C1-C6 烷基、环烷基、芳基、烷芳基、烷基杂芳基、烷基杂环，其中任一者任选被 OH、NO2 或 NR8R9 中的一个或多个取代。
• THIENOPYRIMIDINES AS MKNK1 AND MKNK2 INHIBITORS
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160297833A1

  公开（公告）日：2016-10-13

  The present invention relates to substituted thienopyrimidine compounds of general formula (I) as described and defined herein, to methods of preparing said compounds, to intermediate compounds useful for preparing said compounds, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of a hyper-proliferative and/or angiogenesis disorder, as a sole agent or in combination with other active ingredients.