1-(methylsulfonyl)-1H-indole-3-carboxylic acid | 858515-70-5

• 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: 1-(methylsulfonyl)-1H-indole-3-carboxylic acid
• 英文别名: 1-methylsulfonylindole-3-carboxylic acid
• CAS: 858515-70-5
• 化学式: C₁₀H₉NO₄S
• 分子量: 239.252
• InChiKey: QCBPBNVSCXRUIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  84.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(methylsulfonyl)-1H-indole-3-carboxylic acid 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 [4-[3-(Aminomethyl)phenyl]piperidin-1-yl]-(1-methylsulfonylindol-3-yl)methanone;2,2,2-trifluoroacetic acid
  参考文献：
  名称：

  Design, synthesis, and biological activity of potent and selective inhibitors of mast cell tryptase

  摘要：

  A new series of novel mast cell tryptase inhibitors is reported, which features the use of an indole structure as the hydrophobic substituent on a m-benzylaminepiperidine template. The best members of this series display good in vitro activity and excellent selectivity against other serine proteases. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.002
• 作为产物：
  描述：

  3-吲哚甲酸 在 sodium hydride 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 反应 19.5h， 生成 1-(methylsulfonyl)-1H-indole-3-carboxylic acid
  参考文献：
  名称：

  [EN] COMPOUNDS AND USES THEREOF
  [FR] COMPOSÉS ET LEURS UTILISATIONS

  摘要：

  本公开涉及用于治疗BAF复合物相关疾病的化合物。

  公开号：

  WO2020160100A1

文献信息

• CHEMICAL COMPOUNDS
  申请人：AstraZeneca AB

  公开号：EP1478624A1

  公开（公告）日：2004-11-24
• 5HT3 RECEPTOR ANTAGONISTS
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20180072758A1

  公开（公告）日：2018-03-15

  The present invention provides compounds of the formula: that are 5-HT3 receptor antagonists and are therefore useful for the treatment of diseases treatable by inhibition of 5-HT3 receptor such as emesis, pain, drug addiction, neurodegenerative and psychiatric disorders, and GI disorders. Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds.
• COMPOUNDS AND USES THEREOF
  申请人：Foghorn Therapeutics Inc.

  公开号：US20220119378A1

  公开（公告）日：2022-04-21

  The present disclosure features compounds useful for the treatment of BAF complex-related disorders.
• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSES CHIMIQUES
  申请人：ASTRAZENECA AB

  公开号：WO2003068743A1

  公开（公告）日：2003-08-21

  The invention provides compounds of formula (I):[Chemical formula should be inserted here. Please see paper copy]wherein: X is CH2, O, S(O)2 or NR10; Y is a bond, CH2, NR35, CH2NH, CH2NHC(O), CH(OH), CH(NHCOR33), CH(NHSO2R34), CH2O or CH2S; Z isC(O), or when Y is a bond Z can also be S(O)2; R1 is optionally substituted aryl,optionally substituted heterocyclyl or C4-6 cycloalkyl fused to a benzene ring; and R2, R3, R4, R5, R6, R7 and R8, R9, R10, R32, R33, R34 and R35 are as defined herein;are modulators of chemokine (especially CCR3) activity (for use in, for example,treating asthma). The invention also provides a process for making 4-(3,4-dichlorophenoxy)piperidine, which is useful as an intermediate for making certain compounds of the invention.
• [EN] COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS ET LEURS UTILISATIONS
  申请人：FOGHORN THERAPEUTICS INC

  公开号：WO2020160100A1

  公开（公告）日：2020-08-06

  The present disclosure features compounds useful for the treatment of BAF complex-related disorders.

  本公开涉及用于治疗BAF复合物相关疾病的化合物。