4-(4-chlorophenyl)tetrahydro-2H-pyran-4-carbonitrile | 3648-74-6

• 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-(4-chlorophenyl)tetrahydro-2H-pyran-4-carbonitrile
• 英文别名: 4-(4-chloro-phenyl)-tetrahydro-pyran-4-carbonitrile；4-(4-chlorophenyl)tetrahydropyran-4-carbonitrile；4-(4-chlorophenyl)oxane-4-carbonitrile
• CAS: 3648-74-6
• 化学式: C₁₂H₁₂ClNO
• 分子量: 221.686
• InChiKey: MZHCOVGTFPCSQD-UHFFFAOYSA-N

物化性质

• 沸点：
  137-140 °C(Press: 1 Torr)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  4-(4-chlorophenyl)tetrahydro-2H-pyran-4-carbonitrile 在 盐酸 、 盐酸羟胺 、 sodium ethanolate 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 、 丙酮 、 甲苯 为溶剂， 反应 50.0h， 生成 {3-[4-(4-chloro-phenyl)-tetrahydro-pyran-4-yl]-[1,2,4]oxadiazol-5-ylmethyl}-{2-[4-(2-methoxy-phenyl)-piperidin-1-yl]-ethyl}-amine, hydrochloride
  参考文献：
  名称：

  WO2008/117148

  摘要：

  公开号：
• 作为产物：
  描述：

  二氯乙醚 、 对氯苯乙腈 在 sodium hydride 作用下， 以 二甲基亚砜 、 mineral oil 为溶剂， 以89%的产率得到4-(4-chlorophenyl)tetrahydro-2H-pyran-4-carbonitrile
  参考文献：
  名称：

  MST1 KINASE INHIBITORS AND METHODS OF THEIR USE

  摘要：

  揭示了用于抑制哺乳动物Ste20样激酶1（MST1）的化合物，以及包含它们的组合物和在治疗、管理或预防炎症性或自身免疫疾病或紊乱中使用它们的方法。

  公开号：

  US20120225857A1

文献信息

• Benzamides
  申请人：H. Lundbeck A/S

  公开号：US20140107340A1

  公开（公告）日：2014-04-17

  The present invention is directed to benzamide containing compounds which inhibit the P2X7 receptor

  本发明涉及含有抑制P2X7受体的苯甲酰胺类化合物。
• Ligands for monoamine receptors and transporters, and methods of use thereof
  申请人：——

  公开号：US20030050309A1

  公开（公告）日：2003-03-13

  One aspect of the present invention relates to heterocyclic compounds. A second aspect of the present invention relates to the use of the heterocyclic compounds as ligands for various mammalian cellular receptors, including dopamine, serotonin, or norepinephrine transporters. The compounds of the present invention will find use in the treatment of numerous ailments, conditions and diseases which afflict mammals, including but not limited to addiction, anxiety, depression, sexual dysfunction, hypertension, migraine, Alzheimer's disease, obesity, emesis, psychosis, schizophrenia, Parkinson's disease, inflammatory pain, neuropathic pain, Lesche-Nyhane disease, Wilson's disease, and Tourette's syndrome. An additional aspect of the present invention relates to the synthesis of combinatorial libraries of the heterocyclic compounds, and the screening of those libraries for biological activity, e.g., in assays based on dopamine transporters.

  本发明的一个方面涉及杂环化合物。本发明的第二个方面涉及将这些杂环化合物用作各种哺乳动物细胞受体的配体，包括多巴胺、5-羟色胺或去甲肾上腺素转运体。本发明的化合物将用于治疗许多困扰哺乳动物的疾病、症状和疾病，包括但不限于成瘾、焦虑、抑郁、性功能障碍、高血压、偏头痛、阿尔茨海默病、肥胖、呕吐、精神病、精神分裂症、帕金森病、炎症性疼痛、神经病性疼痛、Lesche-Nyhane病、威尔逊病和抽动症。本发明的另一个方面涉及合成这些杂环化合物的组合式库以及对这些库进行生物活性筛选，例如在基于多巴胺转运体的测定中。
• Method of treating addiction or dependence using a ligand for a monoamine receptor or transporter
  申请人：Aquila M. Brian

  公开号：US20050080078A1

  公开（公告）日：2005-04-14

  One aspect of the present invention relates to a method of treating of drug addiction or drug dependence in a mammal, comprising the step of administering to a mammal in need thereof a therapuetically effective amount of a heterocyclic compound, e.g., a 3-substituted piperidine. In a preferred embodiment, the method of the present invention treats cocaine addiction or methamphetamine addiction.

  本发明的一个方面涉及一种治疗哺乳动物药物成瘾或药物依赖的方法，包括向需要的哺乳动物施用治疗有效量的杂环化合物的步骤，例如，3-取代哌啶。在一个优选实施例中，本发明的方法治疗可卡因成瘾或甲基苯丙胺成瘾。
• Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof
  申请人：——

  公开号：US20030105071A1

  公开（公告）日：2003-06-05

  One aspect of the present invention relates to novel heterocyclic compounds. A second aspect of the present invention relates to the use of the novel heterocyclic compounds as ligands for various mammalian cellular receptors, including G-protein coupled receptors. A third aspect of the present invention relates to the use of the novel heterocyclic compounds as ligands for mammalian dopamine, muscarinic or serotonin receptors or transporters. Another aspect of the present invention relates to the use of the novel heterocyclic compounds as ligands for mammalian dopamine, muscarinic or serotonin receptors. The compounds of the present invention will also find use in the treatment of numerous ailments, conditions and diseases which afflict mammals, including but not limited to addiction, anxiety, depression, sexual dysfunction, hypertension, migraine, Alzheimer's disease, obesity, emesis, psychosis, analgesia, schizophrenia, Parkinson's disease, restless leg syndrome, sleeping disorders, attention deficit hyperactivity disorder, irritable bowel syndrome, premature ejaculation, menstrual dysphoria syndrome, urinary incontinence, inflammatory pain, neuropathic pain, Lesche-Nyhane disease, Wilson's disease, Tourette's syndrome, psychiatric disorders, stroke, senile dementia, peptic ulcers, pulmonary obstruction disorders, and asthma.

  本发明的一个方面涉及新颖的杂环化合物。本发明的第二个方面涉及将这些新颖的杂环化合物用作各种哺乳动物细胞受体的配体，包括G蛋白偶联受体。本发明的第三个方面涉及将这些新颖的杂环化合物用作哺乳动物多巴胺、肌肉或血清素受体或转运体的配体。本发明的另一个方面涉及将这些新颖的杂环化合物用作哺乳动物多巴胺、肌肉或血清素受体的配体。本发明的化合物还将用于治疗许多困扰哺乳动物的疾病、症状和疾病，包括但不限于成瘾、焦虑、抑郁、性功能障碍、高血压、偏头痛、阿尔茨海默病、肥胖、呕吐、精神病、镇痛、精神分裂症、帕金森病、不宁腿综合征、睡眠障碍、注意力缺陷多动障碍、肠易激综合征、早泄、月经痛综合征、尿失禁、炎症性疼痛、神经痛、Lesche-Nyhane病、威尔逊病、抽动症、精神障碍、中风、老年性痴呆、消化性溃疡、肺阻塞疾病和哮喘。
• [EN] NOVEL TRPV3 MODULATORS<br/>[FR] NOUVEAUX MODULATEURS DE TRPV3
  申请人：ABBOTT LAB

  公开号：WO2012019315A1

  公开（公告）日：2012-02-16

  Disclosed herein are modulators of TRPV3 of formula (I), wherein G1, X1, X2, X3, X4, X5, G2, Z1, Ra, Rb, u, and p are as defined in the specification. Compositions comprising such compounds and methods for treating conditions and disorders using such compounds and compositions are also presented.

  本文公开了式（I）的TRPV3调节剂，其中G1、X1、X2、X3、X4、X5、G2、Z1、Ra、Rb、u和p的定义如规范中所述。还提供了包含这些化合物的组合物以及使用这些化合物和组合物治疗疾病和疾病的方法。