3-(1-苄基-1H-苯并[d]咪唑-2-基)丙酸乙酯 | 1029017-74-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 3-(1-苄基-1H-苯并[d]咪唑-2-基)丙酸乙酯
• 英文名称: ethyl 3-(1-benzyl-1H-benzo[d]imidazol-2-yl)propanoate
• 英文别名: ethyl 3-(1-benzylbenzimidazol-2-yl)propanoate
• CAS: 1029017-74-0
• 化学式: C₁₉H₂₀N₂O₂
• 分子量: 308.38
• InChiKey: PZEXKROQAYJNDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  邻苯二胺 在 sodium hydride 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 mineral oil 为溶剂， 反应 16.33h， 生成 3-(1-苄基-1H-苯并[d]咪唑-2-基)丙酸乙酯
  参考文献：
  名称：

  [EN] PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS
  [FR] INHIBITEURS DE LA PDE10 ET COMPOSITIONS ET PROCÉDÉS ASSOCIÉS

  摘要：

  公开号：

  WO2009143178A3

文献信息

• PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS
  申请人：Bergmann John E.

  公开号：US20080300240A1

  公开（公告）日：2008-12-04

  Compounds that inhibit PDE10 are disclosed that have utility in the treatment of a variety of conditions, including (but not limited to) psychotic, anxiety, movement disorders and/or neurological disorders such as Parkinson's disease, Huntington's disease, Alzheimer's disease, encephalitis, phobias, epilepsy, aphasia, Bell's palsy, cerebral palsy, sleep disorders, pain, Tourette syndrome, schizophrenia, delusional disorders, drug-induced psychosis and panic and obsessive-compulsive disorders. The compounds have the general structure: wherein m, n, p, x, R, R 1 , R 2 , R 3 , R 4 , R 5 , A and B, are defined herein, including pharmaceutically acceptable salts, stereoisomers, solvates or prodrugs thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for inhibiting PDE 10 in a warm-blooded animal in need of the same.

  抑制PDE10的化合物已被披露，对治疗包括（但不限于）精神病、焦虑、运动障碍和/或神经系统疾病（如帕金森病、亨廷顿病、阿尔茨海默病、脑炎、恐惧症、癫痫、失语症、贝尔氏面瘫、脑瘫、睡眠障碍、疼痛、抽动症、精神分裂症、妄想症、药物诱发的精神病和恐慌以及强迫症）多种疾病具有用途。这些化合物具有一般结构： 其中m、n、p、x、R、R1、R2、R3、R4、R5、A和B在此定义，包括药学上可接受的盐、立体异构体、溶剂合物或其前药。还披露了含有本发明化合物的组合物，与药学上可接受的载体结合，以及与使用这些化合物抑制需要同样的PDE10的温血动物相关的方法。
• PDE10 inhibitors and related compositions and methods
  申请人：Omeros Corporation

  公开号：US08278327B2

  公开（公告）日：2012-10-02

  Compounds that inhibit PDE10 are disclosed that have utility in the treatment of a variety of conditions, including (but not limited to) psychotic, anxiety, movement disorders and/or neurological disorders such as Parkinson's disease, Huntington's disease, Alzheimer's disease, encephalitis, phobias, epilepsy, aphasia, Bell's palsy, cerebral palsy, sleep disorders, pain, Tourette syndrome, schizophrenia, delusional disorders, drug-induced psychosis and panic and obsessive-compulsive disorders. The compounds have the general structure: wherein m, n, p, x, R, R1, R2, R3, R4, R5, A and B, are defined herein, including pharmaceutically acceptable salts, stereoisomers, solvates or prodrugs thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for inhibiting PDE10 in a warm-blooded animal in need of the same.

  本发明公开了抑制PDE10的化合物，其在治疗各种疾病方面具有用途，包括（但不限于）精神病、焦虑、运动障碍和/或神经系统疾病，如帕金森病、亨廷顿病、阿尔茨海默病、脑炎、恐惧症、癫痫、失语症、贝尔麻痹症、脑瘫、睡眠障碍、疼痛、抽动症、精神分裂症、妄想性障碍、药物诱导的精神病和惊恐和强迫症。该化合物具有以下一般结构：其中m、n、p、x、R、R1、R2、R3、R4、R5、A和B在此定义，包括其药学上可接受的盐、立体异构体、溶剂化物或前药。本发明还公开了含有本发明化合物及其药学上可接受的载体的组合物，以及与之相关的方法，用于在需要的恒温动物中抑制PDE10。
• US7786139B2
  申请人：——

  公开号：US7786139B2

  公开（公告）日：2010-08-31
• US8278327B2
  申请人：——

  公开号：US8278327B2

  公开（公告）日：2012-10-02
• [EN] PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS<br/>[FR] INHIBITEURS DE LA PDE10 ET COMPOSITIONS ET PROCÉDÉS APPARENTÉS
  申请人：OMEROS CORP

  公开号：WO2008064342A2

  公开（公告）日：2008-05-29

  [EN] Compounds that inhibit PDE10 are disclosed that have utility in the treatment of a variety of conditions, including (but not limited to) psychotic, anxiety, movement disorders and/or neurological disorders such as Parkinson's disease, Huntington's disease, Alzheimer's disease, encephalitis, phobias, epilepsy, aphasia, Bell's palsy, cerebral palsy, sleep disorders, pain, Tourette syndrome, schizophrenia, delusional disorders, drug-induced psychosis and panic and obsessive-compulsive disorders. The compounds have the general structure: (I) wherein m, n, p, x, R, R¹, R², R³, R⁴, R⁵, A and B, are defined herein, including pharmaceutically acceptable salts, stereoisomers, solvates or prodrugs thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for inhibiting PDE10 in a warm-blooded animal in need of the same.
  [FR] La présente invention concerne des composés qui inhibent la PDE10 et qui sont utiles pour le traitement de diverses affections, y compris (mais sans limitation) des troubles psychotiques, l'anxiété, des perturbations des mouvements et/ou des affections neurologiques telles que la maladie de Parkinson, la chorée de Huntington, la maladie d'Alzheimer, l'encéphalite, les phobies, l'épilepsie, l'aphasie, la paralysie de Bell, l'encéphalopathie infantile, les troubles du sommeil, la douleur, la maladie de Gilles de la Tourette, la schizophrénie, les délires, une psychose induite par des drogues, la panique et les troubles obsessionnels impulsifs. Les composés présentent la structure générale : (I) dans laquelle m, n, p, x, R, R¹, R², R³, R⁴, R⁵, A et B sont définis ici, y compris leurs sels, stéréoisomères, solvates ou promédicaments pharmaceutiquement acceptables. L'invention concerne également des compositions contenant un composé selon la présente invention en combinaison avec un vecteur pharmaceutiquement acceptable, de même que des procédés se rapportant à l'utilisation de celles-ci pour inhiber la PDE10 chez un animal à sang chaud qui en a besoin.