4-[(8-Phenethyl-8-azabicyclo[3.2.1] oct-3-ylidene)phenylmethyl]benzoic Acid | 359863-41-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[(8-Phenethyl-8-azabicyclo[3.2.1] oct-3-ylidene)phenylmethyl]benzoic Acid
• 英文别名: 4-[(8-Phenethyl-8-azabicyclo[3.2.1]oct-3-ylidene)phenylmethyl]benzoic acid；4-[phenyl-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzoic acid
• CAS: 359863-41-5
• 化学式: C₂₉H₂₉NO₂
• 分子量: 423.555
• InChiKey: WHZPSYIKRDIRLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-[(8-Phenethyl-8-azabicyclo[3.2.1] oct-3-ylidene)phenylmethyl]benzoic Acid 在 氯化亚砜 作用下， 生成 4-[(8-phenethyl-8-azabicyclo[3.2.1]oct-3-ylidene)phenylmethyl]benzoyl chloride
  参考文献：
  名称：

  N , N -Dialkyl-4-[(8-azabicyclo[3.2.1]-oct-3-ylidene)phenylmethyl]benzamides, potent, selective δ opioid agonists

  摘要：

  A series of N, N-dialkyl -4-(9-aryltropanylidenemethyl) benzamides was prepared. The lead Compounds, 15a and 15c, exhibited extremely high affinity for the 6 opioid receptor with excellent selectivity versus the p opioid receptor. They were full agonists at the 6 opioid receptor, as assessed by stimulation of GTPgammaS binding, and displayed antinociceptive activity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.051
• 作为产物：
  描述：

  乙基4-苯甲酰基苯甲酸酯 在 sodium hydroxide 、 四氯化钛 、 锌 作用下， 生成 4-[(8-Phenethyl-8-azabicyclo[3.2.1] oct-3-ylidene)phenylmethyl]benzoic Acid
  参考文献：
  名称：

  N , N -Dialkyl-4-[(8-azabicyclo[3.2.1]-oct-3-ylidene)phenylmethyl]benzamides, potent, selective δ opioid agonists

  摘要：

  A series of N, N-dialkyl -4-(9-aryltropanylidenemethyl) benzamides was prepared. The lead Compounds, 15a and 15c, exhibited extremely high affinity for the 6 opioid receptor with excellent selectivity versus the p opioid receptor. They were full agonists at the 6 opioid receptor, as assessed by stimulation of GTPgammaS binding, and displayed antinociceptive activity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.051

文献信息

• 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives
  申请人：——

  公开号：US20020115662A1

  公开（公告）日：2002-08-22

  This invention is directed to 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives useful as &dgr;-opioid or &mgr;-opioid receptor modulators. Depending on their agonist or antagonist effect, the compounds are useful analgesics, immunosuppressants, antiinflammatory agents, agents for the treatment of neurological and psychiatric conditions, medicaments for drug and alcohol abuse, agents for treating gastritis and diarrhea, cardiovascular agents and agents for the treatment of respiratory diseases.

  这项发明涉及3-(二芳基亚甲基)-8-氮杂双环[3.2.1]辛烷衍生物，可用作δ-阿片或μ-阿片受体调节剂。根据它们的激动剂或拮抗剂作用，这些化合物可用作止痛药、免疫抑制剂、抗炎药、治疗神经和精神疾病的药物、药物和酒精滥用的药物、治疗胃炎和腹泻的药物、心血管药物和治疗呼吸道疾病的药物。
• 3-(Diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives
  申请人：——

  公开号：US20030181447A1

  公开（公告）日：2003-09-25

  This invention is directed to 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives useful as &dgr;-opioid or &mgr;-opioid receptor modulators. Depending on their agonist or antagonist effect, the compounds are useful analgesics, immunosuppressants, antiinflammatory agents, agents for the treatment of neurological and psychiatric conditions, medicaments for drug and alcohol abuse, agents for treating gastritis and diarrhea, cardiovascular agents and agents for the treatment of respiratory diseases.

  本发明涉及3-(二芳基亚甲基)-8-氮杂双环[3.2.1]辛烷衍生物，可用作&dgr;-阿片样或&mgr;-阿片样受体调节剂。根据它们的激动剂或拮抗剂作用，这些化合物可用作镇痛药、免疫抑制剂、抗炎药、治疗神经和精神疾病的药物、药物和酒精滥用的药物、治疗胃炎和腹泻的药物、心血管药物和治疗呼吸系统疾病的药物。
• 3-(Diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：US06552036B2

  公开（公告）日：2003-04-22

  This invention is directed to 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives useful as &dgr;-opioid or &mgr;-opioid receptor modulators. Depending on their agonist or antagonist effect, the compounds are useful analgesics, immunosuppressants, antiinflammatory agents, agents for the treatment of neurological and psychiatric conditions, medicaments for drug and alcohol abuse, agents for treating gastritis and diarrhea, cardiovascular agents and agents for the treatment of respiratory diseases.

  本发明涉及3-（二芳基亚甲基）-8-氮杂双环[3.2.1]辛烷衍生物，可用作&dgr;-阿片或&mgr;-阿片受体调节剂。根据它们的激动剂或拮抗剂效应，这些化合物可用作镇痛剂、免疫抑制剂、抗炎药物、治疗神经和精神疾病的药物、治疗药物和酒精滥用的药物、治疗胃炎和腹泻的药物、心血管药物和治疗呼吸道疾病的药物。
• 3-(DIARYLMETHYLENE)-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：EP1263758A2

  公开（公告）日：2002-12-11
• US6552036B2
  申请人：——

  公开号：US6552036B2

  公开（公告）日：2003-04-22