5-甲基-1,2,3,6,7,8-六氢二环戊烷并[b,d]吡啶 | 6465-45-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 5-甲基-1,2,3,6,7,8-六氢二环戊烷并[b,d]吡啶
• 英文名称: 2-Methyl-3,4:5,6-bicyclopentenopyridin
• 英文别名: 2-Methyl-3,4;5,6-bicyclopentenopyridine；5-methyl-1,2,3,6,7,8-hexahydro-dicyclopenta[b,d]pyridine；5-Methyl-1,2,3,6,7,8-hexahydro-dicyclopenta[b,d]pyridin；5-Methyl-1,2,3,6,7,8-hexahydrodicyclopenta[b,d]pyridine；8-methyl-7-azatricyclo[7.3.0.02,6]dodeca-1,6,8-triene
• CAS: 6465-45-8
• 化学式: C₁₂H₁₅N
• mdl: MFCD08361669
• 分子量: 173.258
• InChiKey: VRJSLAVXISZUBO-UHFFFAOYSA-N

物化性质

• 沸点：
  275 °C(Press: 757 Torr)
• 密度：
  1.0609 g/cm3(Temp: 40 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.583
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  环戊酮 、 三聚乙醛 在 ammonium hydroxide 、 溶剂黄146 作用下， 生成 5-甲基-1,2,3,6,7,8-六氢二环戊烷并[b,d]吡啶
  参考文献：
  名称：

  Tschitschibabin, Bulletin de la Societe Chimique de France, 1939, vol. <5> 6, p. 528

  摘要：

  DOI：

文献信息

• Pyrimidine derivatives
  申请人：Sato Michitaka

  公开号：US20070197551A1

  公开（公告）日：2007-08-23

  This invention provides pyrimidine derivatives represented by a formula, in the formula, ring A stands for carbocyclic group or heterocyclic group, X 1 stands for hydrogen, lower alkyl, amino, etc., X 2 stands for hydrogen or lower alkyl, Y stands for a direct bond or sulfur or nitrogen, n stands for an integer of 0-4, and Ar stands for a group of the following formula, or a salt thereof, which concurrently exhibit 5-HT 1A agonistic activity and 5-HT 3 antagonistic activity and are useful for therapy and treatments of diseases such as IBS. The invention furthermore provides a therapeutic method of IBS, characterized by having 5-HT 1A agonistic activity and 5-HT 3 antagonistic activity work simultaneously and cooperatively in vivo, which comprises either administering 5-HT 3 antagonistic agent which concurrently exhibits 5-HT 1A agonistic activity, or administering 5-HT 1A agonistic agent and 5-HT 3 antagonistic agent simultaneously, in sequence or at an interval.

  本发明提供了由下式表示的嘧啶衍生物，其中，环A代表碳环基团或杂环基团，X1代表氢、低碳基、氨基等，X2代表氢或低碳基，Y代表直接键或硫或氮，n代表0-4的整数，Ar代表以下式的基团，或其盐，同时表现出5-HT1A激动活性和5-HT3拮抗活性，并且对治疗诸如肠易激综合征等疾病有用。本发明进一步提供了一种IBS治疗方法，其特征在于在体内同时和协同地发挥5-HT1A激动活性和5-HT3拮抗活性，包括给予同时表现出5-HT1A激动活性和5-HT3拮抗活性的5-HT3拮抗剂，或同时给予5-HT1A激动剂和5-HT3拮抗剂，按顺序或间隔给予。
• PYRIMIDINE DERIVATIVE
  申请人：ASKA Pharmaceutical Co., Ltd.

  公开号：EP1724267B1

  公开（公告）日：2013-11-06
• US7799775B2
  申请人：——

  公开号：US7799775B2

  公开（公告）日：2010-09-21
• [EN] COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY<br/>[FR] COMPOSÉS ET COMPOSITIONS DESTINÉS AU TRAITEMENT D'ÉTATS PATHOLOGIQUES ASSOCIÉS À UNE ACTIVITÉ DE NLRP
  申请人：NOVARTIS INFLAMMASOME RES INC

  公开号：WO2020102096A1

  公开（公告）日：2020-05-22

  In one aspect, compounds of Formula AA, or a pharmaceutically acceptable salt thereof, are featured: or a pharmaceutically acceptable salt thereof, wherein the variables shown in Formula A can be as defined anywhere herein.
• [EN] SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY<br/>[FR] COMPOSÉS SULFONIMIDAMIDE ET COMPOSITIONS POUR LE TRAITEMENT D'ÉTATS ASSOCIÉS À UNE ACTIVITÉ DE NLRP
  申请人：NOVARTIS INFLAMMASOME RES INC

  公开号：WO2020154499A1

  公开（公告）日：2020-07-30

  In one aspect, compounds of Formula AA, or a pharmaceutically acceptable salt thereof, are featured: (Formula AA) or a pharmaceutically acceptable salt thereof, wherein the variables shown in Formula A can be as defined anywhere herein.