(4-Methylpiperazin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone | 1263083-05-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (4-Methylpiperazin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone
• 英文别名: (4-methylpiperazin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone
• CAS: 1263083-05-1
• 化学式: C₁₃H₁₉N₃O₂
• 分子量: 249.313
• InChiKey: LIISEFCRZLMQMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  48.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxylic acid ethyl ester 在 N-甲基吗啉 、 水 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 27.0h， 生成 (4-Methylpiperazin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone
  参考文献：
  名称：

  EP2460794

  摘要：

  公开号：

文献信息

• PHARMACEUTICAL COMPOSITION CONTAINING FUSED HETERO-RING DERIVATIVE
  申请人：Tachibana Yuuki

  公开号：US20120277238A1

  公开（公告）日：2012-11-01

  The present invention provides a compound which indicates a histamine H4 receptor modulating activity. A compound represented by a formula (I): wherein A ring is a ring represented by the following formula: wherein R 1 is substituted or unsubstituted alkyl, etc., W is —O—, etc., n is an integer of 0 to 6; X is —N(R 7 )— or —O—; R 7 is hydrogen, substituted or unsubstituted alkyl, etc.; Y is —C(R 8 )═ or —N═; R 8 is hydrogen, substituted or unsubstituted alkyl, etc.; Z is ═O, ═S, etc.; B ring is a ring represented by the following formula: wherein R 10 is each independently substituted or unsubstituted alkyl, halogen, hydroxy, substituted or unsubstituted alkyloxy, substituted or unsubstituted amino; R 11 , R 12a and R 12b are each independently hydrogen or substituted or unsubstituted alkyl, etc.; p is an integer of 0 to 4, or its pharmaceutically acceptable salt, or a solvate thereof.
• EP2460794
  申请人：——

  公开号：——

  公开（公告）日：——