5-amino-4-cyano-2,3-dimethyl-1-(2-methyl-4-methoxyphenyl)pyrrole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 5-amino-4-cyano-2,3-dimethyl-1-(2-methyl-4-methoxyphenyl)pyrrole
• 英文别名: 2-Amino-1-(4-methoxy-2-methylphenyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile；2-amino-1-(4-methoxy-2-methylphenyl)-4,5-dimethylpyrrole-3-carbonitrile
• 化学式: C₁₅H₁₇N₃O
• 分子量: 255.319
• InChiKey: JVMWHHSTUAWKDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  64
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-amino-4-cyano-2,3-dimethyl-1-(2-methyl-4-methoxyphenyl)pyrrole 、 环戊酮 在 对甲苯磺酸 、 lithium diisopropyl amide 、 水 作用下， 以 苯 、 四氢呋喃 为溶剂， 反应 132.0h， 生成 2,3-dimethyl-4-amino-1-(2-methyl-4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[e]pyrrolo[2,3-b]pyridine
  参考文献：
  名称：

  CYCLOPENTA[D]PYRAZOLO[1,5-A]PYRIMIDINE COMPOUND AS CRF RECEPTOR ANTAGONIST

  摘要：

  公开号：

  EP1354884B1
• 作为产物：
  描述：

  3-羟基-2-丁酮 、 丙二腈 、 2-甲基-4-甲氧基苯胺 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 14.0h， 生成 5-amino-4-cyano-2,3-dimethyl-1-(2-methyl-4-methoxyphenyl)pyrrole
  参考文献：
  名称：

  CYCLOPENTA[D]PYRAZOLO[1,5-A]PYRIMIDINE COMPOUND AS CRF RECEPTOR ANTAGONIST

  摘要：

  公开号：

  EP1354884B1

文献信息

• Tricyclic and heterocyclic derivative compounds and drugs containing these compounds as the active ingredient
  申请人：——

  公开号：US20040072833A1

  公开（公告）日：2004-04-15

  Tri-heterocyclic compound of formula (I) 1 wherein each of W, X and Y is carbon or nitrogen; each of U and Z is CR 2 , NR 13 , nitrogen, oxygen, sulfur etc.; A ring is carbocyclic ring, heterocyclic ring; R 1 is alkyl, alkenyl, alkynyl, NR 4 R 5 , OR 6 etc.; R 3 is carbocyclic ring, heterocyclic ring; and a pharmaceutically acceptable salt thereof, a process for the preparation thereof, a pharmaceutical comprising them as an active ingredient. A compound of formula (I) is useful, in order to possess corticotropin releasing factor receptor antagonistic activity, for the prevention and/or treatment of depression, anxiety, eating disorder, posttraumatic stress disorder, peptic ulcer, irritable bowl syndrome, Alzheimer's disease, drug addiction or alcohol dependence syndrome etc.

  式(I)的三异杂环化合物，其中W、X和Y中的每一个为碳或氮；U和Z中的每一个为CR2、NR13、氮、氧、硫等；环A为碳环或杂环；R1为烷基、烯基、炔基、NR4R5、OR6等；R3为碳环或杂环；以及其药学上可接受的盐，制备过程和将其作为活性成分的制药组合物。式(I)的化合物具有垂体促肾上腺皮质激素释放因子受体拮抗活性，对于预防和/或治疗抑郁症、焦虑症、进食障碍、创伤后应激障碍、消化性溃疡、肠易激综合症、阿尔茨海默病、药物成瘾或酒精依赖综合症等具有用途。
• Tri-heterocyclic compounds and a pharmaceutical comprising them as an active ingredient
  申请人：Nakai Hisao

  公开号：US20060122392A1

  公开（公告）日：2006-06-08

  Tri-heterocyclic compound of formula (I) wherein each of W, X and Y is carbon or nitrogen; each of U and Z is CR 2 , NR 13 , nitrogen, oxygen, sulfur etc.; A ring is carbocyclic ring, heterocyclic ring; R 1 is alkyl, alkenyl, alkynyl, NR 4 R 5 , OR 6 etc.; R 3 is carbocyclic ring, heterocyclic ring; and a pharmaceutically acceptable salt thereof, a process for the preparation thereof, a pharmaceutical comprising them as an active ingredient. A compound of formula (I) is useful, in order to possess corticotropin releasing factor receptor antagonistic activity, for the prevention and/or treatment of depression, anxiety, eating disorder, posttraumatic stress disorder, peptic ulcer, irritable bowl syndrome, Alzheimer's disease, drug addiction or alcohol dependence syndrome etc.

  式(I)的三杂环化合物，其中W、X和Y中的每一个是碳或氮；U和Z中的每一个是CR2、NR13、氮、氧、硫等；一个环是碳环或杂环；R1是烷基、烯基、炔基、NR4R5、OR6等；R3是碳环或杂环；以及其药学上可接受的盐，制备过程和包含它们作为活性成分的药物。式(I)的化合物具有垂体促肾上腺皮质激素释放因子受体拮抗活性，可用于预防和/或治疗抑郁症、焦虑症、进食障碍、创伤后应激障碍、消化性溃疡、肠易激综合征、阿尔茨海默病、药物成瘾或酒精依赖综合征等。
• TRI-HETEROCYCLIC COMPOUNDS AND A PHARMACEUTICAL COMPRISING THEM AS AN ACTIVE INGREDIENT
  申请人：NAKAI Hisao

  公开号：US20090137604A1

  公开（公告）日：2009-05-28

  Tri-heterocyclic compound of formula (I) wherein each of W, X and Y is carbon or nitrogen; each of U and Z is CR 2 , NR 13 , nitrogen, oxygen, sulfur etc.; A ring is carbocyclic ring, heterocyclic ring; R 1 is alkyl, alkenyl, alkynyl, NR 4 R 5 , OR 6 etc.; R 3 is carbocyclic ring, heterocyclic ring; and a pharmaceutically acceptable salt thereof, a process for the preparation thereof, a pharmaceutical comprising them as an active ingredient. A compound of formula (I) is useful, in order to possess corticotropin releasing factor receptor antagonistic activity, for the prevention and/or treatment of depression, anxiety, eating disorder, posttraumatic stress disorder, peptic ulcer, irritable bowl syndrome, Alzheimer's disease, drug addiction or alcohol dependence syndrome etc.

  公式（I）的三元杂环化合物，其中W、X和Y中的每一个是碳或氮；U和Z中的每一个是CR2、NR13、氮、氧、硫等；一个环是碳环或杂环；R1是烷基、烯基、炔基、NR4R5、OR6等；R3是碳环或杂环；以及其药学上可接受的盐，制备它们的方法，以其为活性成分的制药。公式（I）的化合物在具有促肾上腺皮质激素释放因子受体拮抗活性方面是有用的，用于预防和/或治疗抑郁症、焦虑症、饮食失调、创伤后应激障碍、消化性溃疡、肠易激综合症、阿尔茨海默病、药物成瘾或酒精依赖综合症等。
• TRICYCLIC AND HETEROCYCLIC DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1354884A1

  公开（公告）日：2003-10-22

  Tri- heterocyclic compound of formula (I) wherein each of W, X and Y is carbon or nitrogen; each of U and Z is CR2, NR13, nitrogen, oxygen, sulfur etc.; A ring is carbocyclic ring, heterocyclic ring; R1 is alkyl, alkenyl, alkynyl, NR4R5, OR6 etc.; R3 is carbocyclic ring, heterocyclic ring; and a pharmaceutically acceptable salt thereof, a process for the preparation thereof, a pharmaceutical comprising them as an active ingredient. A compound of formula (I) is useful, in order to possess corticotropin releasing factor receptor antagonistic activity, for the prevention and/or treatment of depression, anxiety, eating disorder, posttraumatic stress disorder, peptic ulcer, irritable bowl syndrome, Alzheimer's disease, drug addiction or alcohol dependence syndrome etc.

  式（I）的三杂环化合物 其中 W、X 和 Y 各为碳或氮；U 和 Z 各为 CR2、NR13、氮、氧、硫等；A 环为碳环、杂环；R1 为烷基、烯基、炔基、NR4R5、OR6 等；R3 为碳环、杂环； 及其药学上可接受的盐、其制备方法、包含它们作为活性成分的药物。 具有促肾上腺皮质激素释放因子受体拮抗活性的式(I)化合物可用于预防和/或治疗抑郁症、焦虑症、饮食失调症、创伤后应激障碍、消化性溃疡、肠易激综合征、阿尔茨海默病、药物成瘾或酒精依赖综合征等。
• Tri- heterocyclic compounds and a pharmaceutical comprising them as an active ingredient
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1832590A2

  公开（公告）日：2007-09-12

  Tri- heterocyclic compound of formula (I) wherein each of W, X and Y is ear3aon or nitrogen; each of U and Z is CR2, NR13, nitrogen, oxygen, sulfur etc.; A ring is carbocyclic ring, heterocyclic ring; R1 is alkyl, alkenyl, alkynyl, NR4R5, OR6 etc.; R3 is carbocyclic ring, heterocyclic ring; and a pharmaceutically acceptable salt thereof, a process for the preparation thereof, a pharmaceutical comprising them as an active ingredient. A compound of formula (I) is useful, in order to possess corticotropin releasing factor receptor antagonistic activity, for the prevention and/or treatment of depression, anxiety, eating disorder, posttraumatic stress disorder, peptic ulcer, irritable bowl syndrome, Alzheimer's disease, drug addiction or alcohol dependence syndrome etc.

  式(I)的三杂环化合物 其中 W、X 和 Y 各为ear3aon 或氮；U 和 Z 各为 CR2、NR13、氮、氧、硫等；A 环为碳环、杂环；R1 为烷基、烯基、炔基、NR4R5、OR6 等；R3 为碳环、杂环； 及其药学上可接受的盐、其制备方法、包含它们作为活性成分的药物。 具有促肾上腺皮质激素释放因子受体拮抗活性的式(I)化合物可用于预防和/或治疗抑郁症、焦虑症、饮食失调症、创伤后应激障碍、消化性溃疡、肠易激综合征、阿尔茨海默病、药物成瘾或酒精依赖综合征等。