二甲基3-(氰基甲l烯)戊烷二酸酯 | 1709-25-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 二甲基3-(氰基甲l烯)戊烷二酸酯
• 英文名称: dimethyl 3-(cyanomethylene)pentanedioate
• 英文别名: dimethyl 3-cyanomethyleneglutarate；3-cyanomethylene-pentanedioic acid dimethyl ester；3-Cyanmethylen-glutarsaeuredimethylester；Dimethyl 3-(cyanomethylidene)pentanedioate
• CAS: 1709-25-7
• 化学式: C₉H₁₁NO₄
• mdl: MFCD00019835
• 分子量: 197.191
• InChiKey: WMDNNIMWXQUULJ-UHFFFAOYSA-N

物化性质

• 沸点：
  104-124°C @0.03 mmHg.
• 密度：
  1.154±0.06 g/cm3(Predicted)
• 溶解度：
  溶于二氯仿、乙酸乙酯、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.444
• 拓扑面积：
  76.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  二甲基3-(氰基甲l烯)戊烷二酸酯 在 氢氧化钾 、 五氯化磷 、 氢气 作用下， 以 1,4-二氧六环 、 乙醇 、 二氯甲烷 为溶剂， 反应 74.0h， 生成 4-ethyl-4-hydroxymethyl-1,8-dihydro-4H-pyrano[4',3':7,8]indolizino[1,2-b]quinoline-3,6-dione
  参考文献：
  名称：

  异腈与2-吡啶基和其他芳基的串联自由基反应：范围和局限性，以及（±）-喜树碱的第一代合成

  摘要：

  在芳基异腈存在下，对N-炔丙基-6-卤代-2-吡啶酮和相关的芳族卤化物进行光解可通过一步向异腈中进行一系列自由基加成，然后进行两次环化，一步即可提供四环和五环产物。描述了该方法的范围和局限性以及外消旋喜树碱的第一代合成方法。

  DOI：

  10.1016/0040-4020(96)00633-3
• 作为产物：
  描述：

  1,3-丙酮二羧酸二甲酯 、 氰乙酸 在 ammonium acetate 、 溶剂黄146 作用下， 以 苯 为溶剂， 反应 6.0h， 以72%的产率得到二甲基3-(氰基甲l烯)戊烷二酸酯
  参考文献：
  名称：

  异腈与2-吡啶基和其他芳基的串联自由基反应：范围和局限性，以及（±）-喜树碱的第一代合成

  摘要：

  在芳基异腈存在下，对N-炔丙基-6-卤代-2-吡啶酮和相关的芳族卤化物进行光解可通过一步向异腈中进行一系列自由基加成，然后进行两次环化，一步即可提供四环和五环产物。描述了该方法的范围和局限性以及外消旋喜树碱的第一代合成方法。

  DOI：

  10.1016/0040-4020(96)00633-3

文献信息

• [EN] PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS<br/>[FR] DÉRIVÉS DE PYRROLOPYRIMIDINE ET DE PYRROLOPYRIDINE SUBSTITUÉS PAR UN GROUPE AMINO CYCLIQUE SERVANT D'ANTAGONISTES DU CRF
  申请人：TAISHO PHARMA CO LTD

  公开号：WO2006001511A1

  公开（公告）日：2006-01-05

  [PROBLEM TO BE SOLVED] An object of the present invention is to provide an antagonist against CRF receptors and/or an agonist for 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, gastrointestinal diseases, drug dependence, cerebral infarction, cerebral ischemia, cerebral edema, cephalic external wound, inflammation, immunity-related diseases, alopecia, irritable bowel syndrome, sleep disorders, epilepsy, dermatitides, schizophrenia, pain, etc. [SOLUTION] A pyrrolopyrimidine or pyrrolopyridine derivative substituted with a cyclic amino group represented by the following formula [I] has a high affinity for CRF receptors and/or δ 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针对CRF受体的拮抗剂和/或对受体的激动剂，作为治疗或预防与CRF有关的疾病的有效药物，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、脑梗死、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、癫痫、皮肤炎、精神分裂症、疼痛等疾病。具有以下式[I]所示的带有环状氨基团的吡咯吡嘧啶或吡咯吡啶衍生物对CRF受体和/或δ受体具有高亲和力，并对与CRF有关的疾病有效。
• The Construction of Open GdIII Metal-Organic Frameworks Based on Methanetriacetic Acid: New Objects with an Old Ligand
  作者：Laura Cañadillas-Delgado、Tomás Martín、Oscar Fabelo、Jorge Pasán、Fernando S. Delgado、Francesc Lloret、Miguel Julve、Catalina Ruiz-Pérez

  DOI：10.1002/chem.200903053

  日期：2010.4.6

  The preparation, X‐ray crystallography and magnetic investigation of the first examples of methanetriacetate (mta)‐containing lanthanide(III) complexes of formulae [Gd(mta)(H2O)3]n⋅4 n H2O (1) [Gd(mta)(H2O)3]n⋅2 n H2O (2) and [Gd2(mta)2(H2O)2]n⋅2 n H2O (3) are described herein. This tripodal ligand promotes the formation of 63 networks; thus 1 consists of a honeycomb structure, whereas in 2 two of

  制备，X射线晶体学和的methanetriaceTAte的第一实施例中磁调查（MTA）含镧系元素（III）式的配合物[钆（MTA）（H 2 O）3 ] ñ ⋅ 4  Ñ  ħ 2 O（1） [钆（MTA）（H 2 O）3 ] ñ ⋅ 2  ñ  ħ 2 O（2）和[钆2（MTA）2（H 2 O）2 ] ñ ⋅ 2  ñ  ħ 2 O（3）在此处进行了说明。该三脚架配体可促进6 3网络的形成。因此，1由蜂窝结构组成，而在2中，这些层中的两个被压缩以形成罕见的五连接二维（4 8 6 2）网络。化合物3可以看作是6 3层的聚集体，从而形成了三维（6,6）连接的二面体（4 12 6 3）（4 9 6 6）nia净，其中the（III）离子MTA配体分别充当八面体和三角棱柱节点。磁性能1– 3在1.9–300 K的温度范围内进行了研究。非常接近居里定律（1），并且弱的是反铁磁性的[ J = -0.0063（1）cm
• Pyrrolopyrimidine and Pyrrolopyridine Derivatives Substituted with a Cyclic Amino Group As Crf Antagonists
  申请人：Nakazato Atsuro

  公开号：US20080280928A1

  公开（公告）日：2008-11-13

  [PROBLEM TO BE SOLVED] An object of the present invention is to provide an antagonist against CRF receptors and/or an agonist for δ 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, gastrointestinal diseases, drug dependence, cerebral infarction, cerebral ischemia, cerebral edema, cephalic external wound, inflammation, immunity-related diseases, alopecia, irritable bowel syndrome, sleep disorders, epilepsy, dermatitides, schizophrenia, pain, etc. [SOLUTION] A pyrrolopyrimidine or pyrrolopyridine derivative substituted with a cyclic amino group represented by the following a [I] has a high affinity for CRF receptors and/or δ receptors, and is effective against diseases in which CRF is considered to be involved.

  【问题需解决】本发明的目的是提供一种针对CRF受体的拮抗剂和/或δ受体的激动剂，其作为治疗或预防CRF参与的疾病，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、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、癫痫、皮炎、精神分裂症、疼痛等方面的治疗或预防药物。 【解决方案】一种通过以下a[I]所代表的环状氨基基团取代的吡咯吡嘧啶或吡咯吡啶衍生物具有高亲和力，可用于CRF受体和/或δ受体，并对CRF参与的疾病具有治疗作用。
• Pyrrolo[2,3-D]pyrimidine derivatives substituted with a cyclic amino group
  申请人：Taisho Pharmaceutical Co., Ltd.

  公开号：US07951811B2

  公开（公告）日：2011-05-31

  [PROBLEM TO BE SOLVED] An object of the present invention is to provide an antagonist against CRF receptors and/or an agonist for δ 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, gastrointestinal diseases, drug dependence, cerebral infarction, cerebral ischemia, cerebral edema, cephalic external wound, inflammation, immunity-related diseases, alopecia, irritable bowel syndrome, sleep disorders, epilepsy, dermatitides, schizophrenia, pain, etc. [SOLUTION] A pyrrolopyrimidine or pyrrolopyridine derivative substituted with a cyclic amino group represented by the following a [I] has a high affinity for CRF receptors and/or δ receptors, and is effective against diseases in which CRF is considered to be involved.

  【需要解决的问题】本发明的目的是提供一种针对CRF受体的拮抗剂和/或δ受体的激动剂，该药物对于CRF可能涉及的疾病如抑郁症、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、脑梗死、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、疼痛等具有治疗或预防作用。 【解决方案】下列式a [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具有高亲和力，可针对CRF受体和/或δ受体，对于CRF可能涉及的疾病具有治疗作用。
• PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS
  申请人：NAKAZATO Atsuro

  公开号：US20110124862A1

  公开（公告）日：2011-05-26

  [Problem to be Solved] An object of the present invention is to provide an antagonist against CRF receptors and/or an agonist for δ 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, gastrointestinal diseases, drug dependence, cerebral infarction, cerebral ischemia, cerebral edema, cephalic external wound, inflammation, immunity-related diseases, alopecia, irritable bowel syndrome, sleep disorders, epilepsy, dermatitides, schizophrenia, pain, etc. [Solution] A pyrrolopyrimidine or pyrrolopyridine derivative substituted with a cyclic amino group represented by the following formula [I] has a high affinity for CRF receptors and/or δ 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CRF受体的拮抗剂和/或δ受体的激动剂，作为治疗或预防CRF参与的疾病（如抑郁症、焦虑症、阿尔茨海默病、帕金森病、亨廷顿舞蹈病、进食障碍、高血压、胃肠疾病、药物依赖、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、癫痫、皮炎、精神分裂症、疼痛等）的有效药物。 【解决方案】以下式[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具有高亲和力，可作为CRF受体和/或δ受体的拮抗剂，对于CRF参与的疾病具有治疗效果。