1-(4-fluoro-phenyl)-4-(1,3,4,5-tetrahydro-pyrido[4,3-b]indol-2-yl)-butan-1-one | 39130-37-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-fluoro-phenyl)-4-(1,3,4,5-tetrahydro-pyrido[4,3-b]indol-2-yl)-butan-1-one
• 英文别名: 1-(4-Fluorophenyl)-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-one
• CAS: 39130-37-5
• 化学式: C₂₁H₂₁FN₂O
• 分子量: 336.409
• InChiKey: JHBXOLKUKNLCRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  36.1
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• BENZISOXAZOLES AND PHENONES AS $g(a) 2?-ANTAGONISTS
  申请人：Janssen Pharmaceutica N.V.

  公开号：EP1140934A1

  公开（公告）日：2001-10-10
• BENZISOXAZOLES AND PHENONES AS ALPHA-2-ANTAGONISTS
  申请人：Janssen Pharmaceutica N.V.

  公开号：EP1140934B1

  公开（公告）日：2003-10-08
• AGENT FOR PROPHYLAXIS AND TREATMENT OF PANCREATITIS
  申请人：Yamaguchi Isamu

  公开号：US20090075974A1

  公开（公告）日：2009-03-19

  Disclosed is a pharmaceutical composition for prophylaxis and treatment of pancreatitis comprising a 5-HT2A receptor antagonist as an effective component, wherein the binding activity (pKi) of the 5-HT2A receptor antagonist to a 5-HT2A receptor is higher at least by 1.0 than the binding activities to a 5-HT2B receptor and a 5-HT2C receptor. Preferably the binding activity (pKi) of the 5-HT2A receptor antagonist to the 5-HT2A receptor is at least 7.0, and more preferably at least 8.0. The present invention also provides a method of identifying a candidate substance for prophylactic and therapeutic agent for pancreatitis, comprising determining whether a test substance has a 5-HT2A receptor antagonistic activity.
• US6576640B1
  申请人：——

  公开号：US6576640B1

  公开（公告）日：2003-06-10
• [EN] BENZISOXAZOLES AND PHENONES AS alpha 2-ANTAGONISTS<br/>[FR] BENZISOXAZOLES ET PHENONES UTILISES COMME alpha 2-ANTAGONISTES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2000037466A1

  公开（公告）日：2000-06-29

  The present invention concerns compounds of formula (I), the N-oxide forms, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein Alk is C5-12alkanediyl; n is 1 or 2; p is 1 and q is 2; or p is 2 and q is 1; X is -O-, -S-, -S(=O)-, -S(=O)2- or NR2; each R1 is independently hydrogen, halogen, C¿1-6?alkyl, nitro, hydroxy or C1-4alkyloxy; R?2¿ is hydrogen, C¿1-6?alkyl, aryl or C1-6alkyl substituted with aryl; aryl is phenyl or phenyl substituted with a halogen or C1-6alkyl; D is an optionally substituted benzophenone or 3-benzisoxazolyl; having central α2-adrenoceptor antagonist activity. It further relates to their preparation, pharmaceutical use and compositions.