N-[(4-pyrimidin-2-ylphenyl)methyl]ethanamine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[(4-pyrimidin-2-ylphenyl)methyl]ethanamine
• 化学式: C₁₃H₁₅N₃
• 分子量: 213.28
• InChiKey: VMEAGEYNLRRLLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Compositions and methods for treating diseases and conditions
  申请人：University of Pittsburgh—Of the Commonwealth System of Higher Education

  公开号：US10487076B2

  公开（公告）日：2019-11-26

  A compound of Formula II, or a salt, ester, solvate, hydrate or prodrug thereof: where: X1 is a branched or unbranched C1-10 alkyl, (CH2)s—NH—(CH2)t, (CH2)s—O—(CH2)t, or (CH2)s—C(NH2)—(CH2)v—NH—(CH2)t, where s, t and v are each, independently an integer from 1 to 5; A and B are each, independently, C6-10aryl, C6-10aryl-C1-6alkyl, C3-9 heteroaryl, or C3-9heteroaryl-C1-6alkyl, each optionally substituted with 1, 2 or 3 independently selected Rg groups; C and D are each, independently, C3-7 cycloalkyl, C3-7 cycloalkyl-C1-6alkyl, C3-7 heterocycloalkyl, C3-7 heterocycloalkyl-C1-6 alkyl, C6-10aryl, C6-10aryl-C1-6alkyl, C3-9 heteroaryl, or C3-9heteroaryl-C1-6alkyl, each optionally substituted with 1, 2 or 3 independently selected Rg groups; each Rg is, independently, halogen, C1-6 alkyl, C1-6 haloalkyl, hydroxyl, C1-6 alkoxy, C1-6 haloalkoxy, amino, C1-6 alkylamino, or di-C1-6alkylamino; and n1 and p1 are each, independently, integers from 1 to 10.

  式 II 的化合物或其盐、酯、溶液、水合物或原药： 其中 X1 是支链或未支链的 C1-10 烷基、(CH2)s-NH-( )t、( )s-O-( )t 或 ( )s-C(NH2)-( )v-NH-( )t ，其中 s、t 和 v 各自独立地为 1 至 5 的整数； A 和 B 各自独立为 C6-10 芳基、C6-10 芳基-C1-6烷基、C3-9 杂芳基或 C3-9 杂芳基-C1-6烷基，各自任选被 1、2 或 3 个独立选择的 Rg 基团取代； C 和 D 各自独立为 C3-7 环烷基、C3-7 环烷基-C1-6烷基、C3-7 杂环烷基、C3-7 杂环烷基-C1-6烷基、C6-10 芳基、C6-10 芳基-C1-6烷基、C3-9 杂芳基或 C3-9 异芳基-C1-6烷基，各自任选被 1、2 或 3 个独立选择的 Rg 基团取代； 每个 Rg 独立地是卤素、C1-6 烷基、C1-6 卤代烷基、羟基、C1-6 烷氧基、C1-6 卤代烷氧基、氨基、C1-6 烷基氨基或二-C1-6 烷基氨基；以及 n1 和 p1 各自独立地为 1 至 10 的整数。
• COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY INJURY OR DISEASE
  申请人：University of Pittsburgh - Of the Commonwealth System of Higher Education

  公开号：US20180071232A1

  公开（公告）日：2018-03-15

  A method for treating a respiratory injury or disease comprising: administering to a patient in need of treatment a pharmaceutical composition comprising a compound of general Formula I: or salt, ester, solvate, hydrate, or prodrug thereof; wherein: x is an integer from 1 to 10; A and B are each, independently, C 3-7 cycloalkyl, C 3-7 cycloalkyl-C 1-6 alkyl, C 3-7 heterocycloalkyl, C 3-7 heterocycloalkyl-C 1-6 alkyl, C 6-10 aryl, C 6-10 aryl-C 1-6 alkyl, C 3-9 heteroaryl, or C 3-9 heteroaryl-C 1-6 alkyl; and n and p are each, independently, integers from 1 to 10; and a pharmaceutically acceptable carrier, excipient, or diluent.
• COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS
  申请人：University of Pittsburgh - Of the Commonwealth System of Higher Education

  公开号：US20180134693A1

  公开（公告）日：2018-05-17

  A compound of Formula II, or a salt, ester, solvate, hydrate or prodrug thereof: where: X 1 is a branched or unbranched C 1-10 alkyl, (CH 2 ) s —NH—(CH 2 ) t , (CH 2 ) s —O—(CH 2 ) t , or (CH 2 ) s —C(NH 2 )—(CH 2 ) v —NH—(CH 2 ) t , where s, t and v are each, independently an integer from 1 to 5; A and B are each, independently, C 6-10 aryl, C 6-10 aryl-C 1-6 alkyl, C 3-9 heteroaryl, or C 3-9 heteroaryl-C 1-6 alkyl, each optionally substituted with 1, 2 or 3 independently selected R g groups; C and D are each, independently, C 3-7 cycloalkyl, C 3-7 cycloalkyl-C 1-6 alkyl, C 3-7 heterocycloalkyl, C 3-7 heterocycloalkyl-C 1-6 alkyl, C 6-10 aryl, C 6-10 aryl-C 1-6 alkyl, C 3-9 heteroaryl, or C 3-9 heteroaryl-C 1-6 alkyl, each optionally substituted with 1, 2 or 3 independently selected R g groups; each R g is, independently, halogen, C 1-6 alkyl, C 1-6 haloalkyl, hydroxyl, C 1-6 alkoxy, C 1-6 haloalkoxy, amino, C 1-6 alkylamino, or di-C 1-6 alkylamino; and n 1 and p 1 are each, independently, integers from 1 to 10.