3-Phenyl-5-methylindol-2-carbonsaeure | 27294-03-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-Phenyl-5-methylindol-2-carbonsaeure
• 英文别名: 5-methyl-3-phenyl-indole-2-carboxylic acid；5-Methyl-3-phenyl-indol-2-carbonsaeure；5-Methyl-3-phenyl-1H-indole-2-carboxylic acid
• CAS: 27294-03-7
• 化学式: C₁₆H₁₃NO₂
• 分子量: 251.285
• InChiKey: RXFTYAQFRROLFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  53.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Phenyl-5-methylindol-2-carbonsaeure 在 氯化亚砜 、 三乙胺 作用下， 以 苯 为溶剂， 反应 4.5h， 生成 ethyl 2-[(5-methyl-3-phenyl-1H-indole-2-carbonyl)amino]benzoate
  参考文献：
  名称：

  Hiremath, Shivayogi P.; Bajji, Ashok C.; Biradar, Jaiprakash S., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1988, vol. 27, # 1-12, p. 756 - 757

  摘要：

  DOI：
• 作为产物：
  描述：

  3-phenyl-2-p-tolylhydrazono-propionic acid 在 盐酸 、 乙醇 作用下， 生成 5-methyl-3-phenyl-1H-indole 、 3-Phenyl-5-methylindol-2-carbonsaeure
  参考文献：
  名称：

  Borsche; Klein, Justus Liebigs Annalen der Chemie, 1941, vol. 548, p. 74,80

  摘要：

  DOI：

文献信息

• Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof
  申请人：——

  公开号：US20020128292A1

  公开（公告）日：2002-09-12

  The present invention is directed to substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs thereof, represented by the general Formula I: 1 wherein X, Ar 1 , R 2 -R 6 and R 12 are defined herein. The present invention also relates to the discovery that compounds having Formula I are activators of caspases and inducers of apoptosis. The compounds of this invention may be used to induce cell death in a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.

  本发明涉及取代的吲哚-2-羧酸亚苄基肼及其类似物，其由通式I表示： 1 其中X，Ar 1 ，R 2 -R 6 和R 12 的定义如本文中所述。本发明还涉及发现具有I式的化合物是半胱天冬酶的激活剂和凋亡的诱导剂。本发明的化合物可用于诱导在异常细胞不受控制的生长和扩散发生的多种临床状况中的细胞死亡。
• INDOLES
  申请人：Bissantz Caterina

  公开号：US20080139548A1

  公开（公告）日：2008-06-12

  The present invention is concerned with novel indol-2-yl-carbonyl-piperidin-benzoimidazolon and indol-2-yl-carbonyl-piperidin-benzoxazolon derivatives as V1a receptor antagonists, their manufacture, pharmaceutical compositions containing them and their use for the treatment of anxiety and depressive disorders and other diseases. In particular, the present invention concerns compounds of formula (I) wherein R 1 to R 11 , X and Y are as defined in the specification.

  本发明涉及新颖的吲哒-2-基-羰基-哌啶-苯并咪唑酮和吲哒-2-基-羰基-哌啶-苯并噁唑酮衍生物作为V1a受体拮抗剂，它们的制备，含有它们的药物组合物以及它们用于治疗焦虑和抑郁症及其他疾病。具体而言，本发明涉及式(I)的化合物，其中R1至R11，X和Y如规范中定义。
• Indoles
  申请人：Bissantz Caterina

  公开号：US20080269290A1

  公开（公告）日：2008-10-30

  The present invention is concerned with novel indol-2-yl-carbonyl-piperidin-benzoimidazolon and indol-2-yl-carbonyl-piperidin-benzoxazolon derivatives as V1 a receptor antagonists, their manufacture, pharmaceutical compositions containing them and their use for the treatment of anxiety and depressive disorders and other diseases. In particular, the present invention concerns compounds of formula (I) wherein R 1 to R 11 , X and Y are as defined in the specification.

  本发明涉及新型的indol-2-yl-carbonyl-piperidin-benzoimidazolon和indol-2-yl-carbonyl-piperidin-benzoxazolon衍生物，作为V1a受体拮抗剂，它们的制造，包含它们的制药组合物以及它们用于治疗焦虑和抑郁症以及其他疾病的用途。特别地，本发明涉及式(I)中R1到R11、X和Y所定义的化合物。
• Hiremath, S P; Badiger, G R; Jivanagi, A S, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1992, vol. 31, # 9, p. 583 - 589
  作者：Hiremath, S P、Badiger, G R、Jivanagi, A S、Purohit, M G

  DOI：——

  日期：——
• INDOLES WHICH ACT AS VIA RECEPTOR ANTAGONISTS
  申请人：F.HOFFMANN-LA ROCHE AG

  公开号：EP2089381A1

  公开（公告）日：2009-08-19