1-甲基哌啶-3-甲腈 | 4606-63-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-甲基哌啶-3-甲腈
• 中文别名: 1-甲基-哌啶-3-甲腈
• 英文名称: 1-Methyl-3-cyan-piperidin
• 英文别名: 3-Cyan-1-methyl-piperidin；1-methyl-piperidine-3-carbonitrile；1-Methyl-piperidin-3-carbonitril；(1-Methyl-3-piperidine)carbonitrile；1-Methylpiperidine-3-carbonitrile
• CAS: 4606-63-7
• 化学式: C₇H₁₂N₂
• 分子量: 124.186
• InChiKey: JYOKDJPITDWCEZ-UHFFFAOYSA-N

物化性质

• 沸点：
  95-96 °C(Press: 20 Torr)
• 密度：
  0.97±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为产物：
  描述：

  1-methyl-1,4,5,6-tetrahydro-pyridine-3-carbonitrile; perchlorate 在 甲醇 、 sodium tetrahydroborate 作用下， 生成 1-甲基哌啶-3-甲腈
  参考文献：
  名称：

  杂环系列中的药用化学研究。27.通信氢吡啶I用硼氢化钠还原1-甲基-3-氰基吡啶鎓碘化物

  摘要：

  已经发现用过量的硼氢化钠还原1-甲基-3-氰基-吡啶鎓碘化物可得到1-甲基-3-氰基-1、2,5,6-四氢吡啶（I）和1-甲基-3-甲基。氰基-1-，6-二氢吡啶（IIa）的收率大致相等。通过与仅在上位获得的1-甲基-3-氰基-1,4-二氢吡啶（IIb）的比较推论得出IIa的结构用连二亚硫酸钠处理1-甲基-3-氰基吡啶鎓碘化物，并通过催化加氢生成1-甲基-3-氰基-1,4,5,6-四氢吡啶（III）。

  DOI：

  10.1002/hlca.19590420626

文献信息

• Substituted Oxadiazole Derivatives as Positive Allosteric Modulators of Metabotropic Glutamate Receptors
  申请人：Farina Marco

  公开号：US20090215822A1

  公开（公告）日：2009-08-27

  The present invention relates to new compounds which are Oxadiazole derivatives of formula (I) wherein B, P, Q, W, R 1 and R 2 are defined in the description. Invention compounds are useful in the prevention or treatment of central or peripheral nervous system disorders as well as other disorders modulated by mGluR5 receptors.(I).

  本发明涉及一种新化合物，其为式(I)的噁二唑衍生物，其中B、P、Q、W、R1和R2在描述中有定义。该发明化合物在预防或治疗中枢或外周神经系统疾病以及其他受mGluR5受体调节的疾病方面具有用途。(I)。
• Allosteric Modulators of Metabotropic Glutamate Receptors
  申请人：Bessis Anne-Sophie

  公开号：US20070219187A1

  公开（公告）日：2007-09-20

  The present invention relates to new compounds of formula (I) wherein A, B, P, Q, W, R 1 and R 2 are defined in the description; invention compounds are useful in the prevention or treatment of central nervous system disorders as well as other disorders modulated by mGluR5 receptors.

  本发明涉及公式(I)的新化合物，其中A、B、P、Q、W、R1和R2在说明书中定义；发明化合物在预防或治疗中枢神经系统疾病以及其他受mGluR5受体调节的疾病方面有用。
• Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors
  申请人：Farina Marco

  公开号：US20100004284A1

  公开（公告）日：2010-01-07

  The present invention relates to new compounds which are Heterocyclic derivatives of formula (I) wherein A, B, P, X, Y, Q, W, R 1 and R 2 are defined in the description. Invention compounds are useful for treating central or peripheral nervous system disorders and other disorders which are affected by the neuromodulatory effect of mGluR5 positive allosteric modulators such as cognitive decline and also to treat both positive and negative symptoms in schizophrenia.

  本发明涉及公式（I）的新化合物，其为杂环衍生物，其中A，B，P，X，Y，Q，W，R1和R2在说明书中定义。发明化合物可用于治疗中枢或外周神经系统疾病以及其他受mGluR5阳性变构调节剂神经调节作用影响的疾病，如认知衰退，并可用于治疗精神分裂症的阳性和阴性症状。
• Thienopyrimidine and Thienopyridine Derivatives Substituted with Cyclic Amino Group
  申请人：Nakazato Atsuro

  公开号：US20070254898A1

  公开（公告）日：2007-11-01

  [Problem to be Solved] An object of the present invention is to provide an antagonist against CRF receptors which is effective as a therapeutic or prophylactic agent for diseases in which CRF is considered to be involved, such as depression, anxiety, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorder, hypertension, gastral diseases, drug dependence, epilepsy, cerebral infarction, cerebral ischemia, cerebral edema, cephalic external wound, inflammation, immunity-related diseases, alpecia, irritable bowel syndrome, sleep disorders, epilepsy, dermatitides, schizophrenia, etc. [Solution] A thienopyrimidine or thienopyridine derivative substituted with a cyclic amino group represented by the following formula [I]: has a high affinity for CRF receptors and is effective against diseases in which CRF is considered to be involved.

  【待解决的问题】本发明的目的是提供一种针对CRF受体的拮抗剂，其作为治疗或预防代理，对CRF参与的疾病具有有效性，例如抑郁症、焦虑症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、胃肠疾病、药物依赖、癫痫、脑梗塞、脑缺血、脑水肿、头部外伤、炎症、免疫相关疾病、脱发、肠易激综合症、睡眠障碍、癫痫、皮炎、精神分裂症等。 【解决方案】一种噻唑嘧啶或噻唑吡啶衍生物，其被一个以下式[I]所代表的环状氨基团置换，具有高亲和力的CRF受体，对CRF参与的疾病具有有效性。
• Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group
  申请人：NAKAZATO Atsuro

  公开号：US20080287397A1

  公开（公告）日：2008-11-20

  An object of the present invention is to provide an antagonist against CRF receptors which is effective as a therapeutic or prophylactic agent for diseases in which CRF is considered to be involved, such as depression, anxiety, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorder, hypertension, gastric diseases, drug dependence, epilepsy, cerebral infarction, cerebral ischemia, cerebral edema, cephalic external wound, inflammation, immunity-related diseases, alopecia, irritable bowel syndrome, sleep disorders, epilepsy, dermatitides, schizophrenia, etc. This problem can be solved with a pyrrolopyrimidine or pyrrolopyridine derivative substituted with a cyclic amino group represented by formula [I] below which has a high affinity for CRF receptors and is effective against diseases in which CRF is considered to be involved.

  本发明的目的是提供一种CRF受体拮抗剂，作为治疗或预防与CRF有关的疾病的药物，例如抑郁症、焦虑症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、胃病、药物依赖、癫痫、脑梗塞、脑缺血、脑水肿、头部外伤、炎症、免疫相关疾病、脱发、肠易激综合征、睡眠障碍、皮炎、精神分裂症等。这个问题可以通过下式[I]所表示的带有环状氨基基团的吡咯吡嘧啶或吡咯吡啶衍生物来解决，其具有高亲和力，对CRF受体有效，并且对与CRF有关的疾病也有效。