(8aS)-2,2-difluoro-1,2,3,5,6,7,8,8a-octahydroindolizin-7-one | 443982-99-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚里西啶
• 英文名称: (8aS)-2,2-difluoro-1,2,3,5,6,7,8,8a-octahydroindolizin-7-one
• 英文别名: (8aS)-2,2-difluoro-1,3,5,6,8,8a-hexahydroindolizin-7-one
• CAS: 443982-99-8
• 化学式: C₈H₁₁F₂NO
• 分子量: 175.178
• InChiKey: OPTZCUJKBVOMAJ-LURJTMIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-(1-Allyloxycarbonyl-1,2,3,6-tetrahydropyridin-4-yl)-2-(4-fluorophenyl)-3-(2-fluoropyridin-4-yl)-1 H-pyrrole 、 、 1-[(benzyloxy)carbonyl]-4,4-difluoro-L-proline 、 生成 (8aS)-2,2-difluoro-1,2,3,5,6,7,8,8a-octahydroindolizin-7-one
  参考文献：
  名称：

  Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses

  摘要：

  具有对公式（I）'的炎症细胞因子产生活性的化合物：A'为吡咯；R1'为苯基或萘基；R2'为吡啶基或嘧啶基；R3'为（IIa）'，（IIb）'或（IIc）'；m'为1；E'为氮；D'为>C（R5'），R5'为氢，取代基α'或取代基β'；B'为含氮的5元杂环；R4'为取代基α'，取代基β'和取代基γ'中的1至3个取代基；R1'和R3'与靠近R2'的吡咯原子相连；取代基α'为羟基，硝基，氰基，卤素，烷氧基，卤代烷氧基，烷基硫基，卤代烷基硫基或-NRa'Rb'；Ra'和Rb'为氢，烷基，烯基，炔基，芳基烷基或烷基磺酰基，或Ra'和Rb'与氮原子形成杂环基；取代基β'为烷基，烯基，炔基，芳基烷基或环烷基；取代基γ'为氧代，羟基亚胺基，烷氧基亚胺基，烷基，烷二氧基，烷基亚磺酰基，烷基磺酰基，芳基，芳氧基，烷基亚甲基或芳基亚甲基。

  公开号：

  US20060128756A1

文献信息

• 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。
• PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES
  申请人：Sankyo Company Limited

  公开号：EP1377577A1

  公开（公告）日：2004-01-07
• US7122666B2
  申请人：——

  公开号：US7122666B2

  公开（公告）日：2006-10-17
• [EN] PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES<br/>[FR] DERIVES DE PYRROLE POUR TRAITER DES MALADIES DANS LESQUELLES INTERVIENNENT DES CYTOKINES
  申请人：SANKYO CO

  公开号：WO2002057264A1

  公开（公告）日：2002-07-25

  Compounds of formula (I): [wherein: A is a pyrrole ring; R1 is an optionally substituted aryl or heteroaryl group; R2 is an optionally substituted nitrogen-containing heteroaryl group; and R3 is formulae (IIa), (IIb) or (IIc), wherein m is 1 or 2, one of D and E is nitrogen and the other is ⊃C(R5)- (wherein R5 is hydrogen, a Substituent ≡ or a Substituent β), B is a nitrogen-containing 4- to 7-membered heterocyclic ring, and R4 is from 1 to 3 substituents from Substituent group ≡, substituent group β and Substituent group η; PROVIDED THAT R?1 and R3¿ are bonded to the two atoms of said pyrrole ring which are adjacent to the atom of the pyrrole ring to which said substituent R2 is bonded; Substituent group ≡ consists of hydroxyl, nitro, cyano, halogen, alkoxy, halogeno alkoxy, alkylthio and halogeno alkythio groups and groups of formula NRaRb (wherein R?a and Rb¿ are hydrogen, alkyl, alkenyl, alkynyl, aralkyl and alkylsulfonyl, or R?a and Rb¿, taken together with the nitrogen atom to which they are attached, form a heterocyclyl); Substituent group β consists of optionally substituted alkyl, alkenyl and alkynyl groups, and aralkyl and cycloalkyl groups; Substituents group η consists of oxo, hydroxyimino, alkoxyimino, alkylene, alkylenedioxy, alkylsufinyl, alkylsulfonyl, optionally substituted aryl, optionally substituted aryloxy, alkylidenyl and aralkylidenyl groups] have excellent activity against the production of inflammatory cytokines.