5-(4-fluorophenyl)-3-[(2S,8aS)-2-(4-methylphenyl)-1,2,3,5,6,8a-hexahydroindolizin-7-yl]-4-(pyridin-4-yl)pyrazole | 651736-29-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 5-(4-fluorophenyl)-3-[(2S,8aS)-2-(4-methylphenyl)-1,2,3,5,6,8a-hexahydroindolizin-7-yl]-4-(pyridin-4-yl)pyrazole
• 英文别名: (2S,8aS)-7-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-(4-methylphenyl)-1,2,3,5,6,8a-hexahydroindolizine
• CAS: 651736-29-7
• 化学式: C₂₉H₂₇FN₄
• 分子量: 450.559
• InChiKey: UFRHFFTVHIAVDN-AOYPEHQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  44.8
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents
  申请人：Dyck E. Lillian

  公开号：US20050159393A1

  公开（公告）日：2005-07-21

  Novel compounds of the formula I are described: wherein: R 1 =(CH 2 ) m CH 3 where m is 0 or an integer in the range from 1 to 16, or an alkenyl, alkynyl, alkoxy, alkylthio, or alkyl sulfinyl group having from 2 to 17 carbon atoms, R 2 =H, CH 3 or CH 2 CH 3 R 3 =H or CH 3 R 4 =H or CH 3 R 5 =lower alkyl having from 1 to 5 carbon atoms n is an integer in the range from 1 to 3, and X is carboxyl (COOH) or carbalkoxy (COOR 5 ), cyano (C≡N), phosphonic acid (PO 3 H 2 ), phosphonate ester (PO 3 [R 5 ] 2 ) or 5-tetrazole, and pharmaceutically acceptable salts thereof. Preferably, the compounds are optically pure enantiomers of the R- or S-configuration in which R 3 =R 4 =R 5 =H, R 2 =CH 3 and R 1 is a saturated aliphatic chain of one to five carbon atoms. The compounds are useful as cellular rescue agents.

  描述了公式I的新化合物：其中：R1=(CH2)m ，其中m为0或在1到16范围内的整数，或者为具有2到17个碳原子的烯基、炔基、烷氧基、烷基硫醚或烷基亚砜基团，R2=H、CH3或 ，R3=H或 ，R4=H或 ，R5=具有1到5个碳原子的低碳基，n为1到3范围内的整数，X为羧基（COOH）或羧酰氧基（COOR5）、氰基（C≡N）、膦酸（PO3H2）、膦酸酯（PO3[R5]2）或5-四唑，并且其药学上可接受的盐。优选，这些化合物是R-或S-构型的光学纯对映体，其中R3=R4=R5=H，R2= ，R1是由一到五个碳原子组成的饱和脂肪链。这些化合物可用作细胞救助剂。
• Bicyclic unsaturated tertiary amine compounds
  申请人：Kimura Tomio

  公开号：US20050159444A1

  公开（公告）日：2005-07-21

  A bicyclic unsaturated tertiary amine compound capable of inhibiting the production of inflammatory cytokines. The compound has the following formula (I): wherein A represents pyrrole or pyrazole, R 1 represents an aryl group or a heteroaryl group which may be substituted, R 2 represents a heteroaryl group which may be substituted, and R 3 represents an indolizine group, or a pharmacologically acceptable salt thereof, a pharmacologically acceptable ester thereof or a pharmacologically acceptable derivative thereof.

  一种双环不饱和三级胺化合物，能够抑制炎症细胞因子的产生。该化合物的化学式如下（I）：其中A代表吡咯或吡唑，R1代表取代的芳基或杂环基，R2代表取代的杂环基，R3代表吲哚啉基，或其药学上可接受的盐、酯或衍生物。
• BICYCLIC UNSATURATED TERTIARY AMINE COMPOUND
  申请人：Sankyo Company, Limited

  公开号：EP1541571A1

  公开（公告）日：2005-06-15

  The present invention provides a bicyclic unsaturated tertiary amine compound capable of inhibiting the production of inflammatory cytokines. A compound of the following formula (1): (wherein, A represents pyrrole or pyrazole, R1 represents an aryl group or a heteroaryl group which may be substituted, R2 represents a heteroaryl group which may be substituted, and R3 represents an indolizine group), or a pharmacologically acceptable salt thereof, a pharmacologically acceptable ester thereof or other pharmacologically acceptable derivative thereof.

  本发明提供了一种能够抑制炎症细胞因子产生的双环不饱和叔胺化合物。 一种下式（1）的化合物： (其中、 A代表吡咯或吡唑，R1代表芳基或可被取代的杂芳基，R2代表可被取代的杂芳基，R3代表吲嗪基），或其药理学上可接受的盐、药理学上可接受的酯或其它药理学上可接受的衍生物。