1-ethoxycarbonylmethyl-indole-2-carboxylic acid | 174667-12-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-ethoxycarbonylmethyl-indole-2-carboxylic acid
• 英文别名: 1-Aethoxycarbonylmethyl-indol-2-carbonsaeure；1-(Ethoxycarbonylmethyl)indole-2-carboxylic acid；1-ethoxycarbonylmethylindole-2-carboxylic acid；1-(2-Ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid；1-(2-ethoxy-2-oxoethyl)indole-2-carboxylic acid
• CAS: 174667-12-0
• 化学式: C₁₃H₁₃NO₄
• 分子量: 247.251
• InChiKey: XAWCWJSRDDSGQT-UHFFFAOYSA-N

物化性质

• 沸点：
  454.5±25.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  68.5
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933790090

反应信息

• 作为反应物：
  描述：

  1-ethoxycarbonylmethyl-indole-2-carboxylic acid 在 喹啉 、 chromium(III) oxide 、 copper(II) oxide 作用下， 生成 吲哚-1-乙酸
  参考文献：
  名称：

  1-INDOLEACETIC ACID

  摘要：

  1-吲哚乙酸、3-甲基-1-吲哚乙酸及其几个衍生物是从苯肼乙酸酯中形成的，并且它们的结构有三种不同的确定方法。其中几种新化合物表现出植物生长调节活性。

  DOI：

  10.1139/v52-049
• 作为产物：
  描述：

  1-(羧甲基)吲哚-2-羧酸 在 盐酸 作用下， 生成 1-ethoxycarbonylmethyl-indole-2-carboxylic acid
  参考文献：
  名称：

  1-INDOLEACETIC ACID

  摘要：

  1-吲哚乙酸、3-甲基-1-吲哚乙酸及其几个衍生物是从苯肼乙酸酯中形成的，并且它们的结构有三种不同的确定方法。其中几种新化合物表现出植物生长调节活性。

  DOI：

  10.1139/v52-049

文献信息

• Fused bicyclic amide compounds and medicinal use thereof
  申请人：——

  公开号：US20030203909A1

  公开（公告）日：2003-10-30

  The present invention provides a compound represented by the formula (I) 1 wherein ring A is benzene, cyclohexane, pyridine, piperidine or a derivative thereof, imidazole or a derivative thereof and the like, ring B is benzene, cyclohexane, pyrrole or a derivative thereof, furan, thiophene and the like, R 1 , R 2 and R 3 are each hydrogen, alkyl, halogen, hydroxyl group, alkoxy and the like, W is hydrogen, alkyl or hydroxycarbonylalkyl, X is halogen, cyano, nitro and the like, X′ is hydrogen, halogen and the like, and Y is alkyl, hydroxyalkyl, hydroxycarbonylalkyl, aminoalkyl and the like, a salt thereof, and a pharmaceutical agent containing the compound. The compound of the present invention shows a superior inhibitory effect on the proliferation of activated lymphocyte and is useful as an agent for the prophylaxis or treatment of various autoimmune diseases.

  本发明提供了一种由以下化学式（I）1所代表的化合物，其中环A为苯、环己烷、吡啶、哌啶或其衍生物、咪唑或其衍生物等，环B为苯、环己烷、吡咯或其衍生物、呋喃、噻吩等，R1、R2和R3分别为氢、烷基、卤素、羟基、烷氧基等，W为氢、烷基或羟基羰基烷基，X为卤素、氰基、硝基等，X′为氢、卤素等，Y为烷基、羟基烷基、羟基羰基烷基、氨基烷基等，其盐和含有该化合物的药物。本发明的化合物对活化淋巴细胞的增殖具有优越的抑制作用，并可用作各种自身免疫性疾病的预防或治疗剂。
• Thienylazole compound and thienotriazolodiazepine compound
  申请人：Yoshitomi Pharmaceutical Industries, Ltd.

  公开号：US05760032A1

  公开（公告）日：1998-06-02

  Thienylazole compounds (I) and thienotriazolodiazepine compounds (II) of the formulas ##STR1## wherein R.sup.1 and R.sup.2 are hydrogen, halogen, C.sub.1 -C.sub.5 alkyl and the like; --A.dbd.B-- is --N.dbd.N-- and the like; R.sup.3 and R.sup.19 are hydrogen, C.sub.1 -C.sub.5 alkyl and the like; Y is --NHCO--, --NHCONH--, --NHCOO-- and the like; Z.sup.1 and Z.sup.2 are aryl, heteroaryl and the like; Ar is halogen-substituted phenyl and the like; and m is 0 or an integer of 1-5. The compounds of the present invention have CCK antagonistic action and gastrin antagonistic action, particularly potent antagonistic action against CCK-A receptor, and are useful as agents for the prophylaxis and treatment of central and peripheral nervous system diseases (e.g., anxiety, schizophrenia, and the like) and digestive diseases (e.g., pancreatitis, gastric ulcer, enterelcosis, irritable bowel syndrome, constipation, and the like).

  本发明提供了Thienylazole化合物（I）和thienotriazolodiazepine化合物（II），其化学式为##STR1##其中R.sup.1和R.sup.2是氢，卤素，C.sub.1-C.sub.5烷基等；--A.dbd.B--是--N.dbd.N--等；R.sup.3和R.sup.19是氢，C.sub.1-C.sub.5烷基等；Y是--NHCO--，--NHCONH--，--NHCOO--等；Z.sup.1和Z.sup.2是芳基，杂芳基等；Ar是卤素取代的苯基等；m为0或1-5的整数。本发明的化合物具有CCK拮抗作用和胃泌素拮抗作用，特别是对CCK-A受体具有强烈的拮抗作用，可用作中枢和外周神经系统疾病（如焦虑，精神分裂症等）和消化系统疾病（如胰腺炎，胃溃疡，肠炎，肠易激综合征，便秘等）的预防和治疗剂。
• THIENYLAZOLE COMPOUND AND THIENOTRIAZOLODIAZEPINE COMPOUND
  申请人：YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD.

  公开号：EP0776892A1

  公开（公告）日：1997-06-04

  Thienylazole compounds (I) and thienotriazolodiazepine compounds (II) of the formulas wherein R1 and R2 are hydrogen, halogen, C1-C5 alkyl and the like; -A=B-is -N=N- and the like; R3 and R19 are hydrogen, C1-C5 alkyl and the like; Y is -NHCO, -NHCONH-, -NHCOO- and the like; Z1 and Z2 are aryl, heteroaryl and the like; Ar is halogen-substituted phenyl and the like; and m is 0 or an integer of 1-5. The compounds of the present invention have CCK antagonistic action and gastrin antagonistic action, particularly potent antagonistic action against CCK-A receptor, and are useful as agents for the prophylaxis and treatment of central and peripheral nervous system diseases (e.g., anxiety, schizophrenia, and the like) and digestive diseases (e.g., pancreatitis, gastric ulcer, enterelcosis, irritable bowel syndrome, constipation, and the like).

  噻吩基氮唑化合物(I)和噻吩三唑并二氮杂卓化合物(II)，其式如下 其中 R1 和 R2 是氢、卤素、C1-C5 烷基和类似物；-A=B- 是-N=N- 和类似物；R3 和 R19 是氢、C1-C5 烷基和类似物；Y 是-NHCO、-NHCONH-、-NHCOO- 和类似物；Z1 和 Z2 是芳基、杂芳基和类似物；Ar 是卤素取代的苯基和类似物；m 是 0 或 1-5 的整数。 本发明的化合物具有 CCK 拮抗作用和胃泌素拮抗作用，特别是对 CCK-A 受体具有强效的拮抗作用，可作为预防和治疗中枢和周围神经系统疾病（如焦虑症、精神分裂症等）和消化系统疾病（如胰腺炎、胃溃疡、肠梗阻、肠易激综合征、便秘等）的药物。
• US5760032A
  申请人：——

  公开号：US5760032A

  公开（公告）日：1998-06-02
• 1-INDOLEACETIC ACID
  作者：W. S. Smith、R. Y. Moir

  DOI：10.1139/v52-049

  日期：1952.5.1

  1-Indoleacetic acid, 3-methyl-1-indoleacetic acid, and several of their derivatives were formed from phenylhydrazineacetic ester, and their structures were determined in three different ways. Several of the new compounds exhibited plant growth regulating activity.

  1-吲哚乙酸、3-甲基-1-吲哚乙酸及其几个衍生物是从苯肼乙酸酯中形成的，并且它们的结构有三种不同的确定方法。其中几种新化合物表现出植物生长调节活性。