acide (carboxy-2 methyl-5 1H-indolyl-3)-3 propanoique | 7394-72-1

• 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: acide (carboxy-2 methyl-5 1H-indolyl-3)-3 propanoique
• 英文别名: 3-(2-carboxyethyl)-5-methyl-1H-indole-2-carboxylic acid；3-(2-carboxy-ethyl)-5-methyl-indole-2-carboxylic acid
• CAS: 7394-72-1
• 化学式: C₁₃H₁₃NO₄
• 分子量: 247.251
• InChiKey: NIVPCBSZXJLGOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  90.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (5Z)-5-cyano-5-[(4-methylphenyl)hydrazinylidene]pentanoic acid 以90%的产率得到
  参考文献：
  名称：

  THI ANH NGA TRINH; LAMANT M., BULL. SOC. CHIM. FR.,(1987) N 2, 361-364

  摘要：

  DOI：

文献信息

• Dual‐Acting Small‐Molecule Inhibitors Targeting Mycobacterial DNA Replication
  作者：Meenakshi Singh、Stefan Ilic、Benjamin Tam、Yesmin Ben‐Ishay、Dror Sherf、Doron Pappo、Barak Akabayov

  DOI：10.1002/chem.202001725

  日期：2020.8.21

  available antibiotics. Therefore, new therapeutics for TB are in constant demand. Here, we report the development of small‐molecule inhibitors that target two DNA replication enzymes of Mtb, namely DnaG primase and DNA gyrase (Gyr), which share a conserved TOPRIM fold near the inhibitors’ binding site. The molecules were developed on the basis of previously reported inhibitors for T7 DNA primase that bind

  结核分枝杆菌（Mtb）是一种致病菌，也是结核病（TB）的病原体，该病每年在全球造成150万人死亡。如此高的死亡率的主要原因之一是对新抗生素产生抗药性的新Mtb菌株的进化。因此，对结核病的新疗法有持续的需求。在这里，我们报道了针对两种Mtb DNA复制酶的小分子抑制剂的开发，即DnaG引发酶和DNA促旋酶（Gyr），它们在抑制剂的结合位点附近具有保守的TOPRIM折叠。该分子是根据先前报道的结合在TOPRIM折叠附近的T7 DNA primase抑制剂开发的。为了改善分子的物理化学性质以及它们对primase和gyrase的抑制作用，已在三个优化阶段合成了49种新型化合物作为潜在的候选药物。化学优化的最后阶段产生了两种新型的Mtb DnaG和Gyr抑制剂，它们对快速增长的非致病性模型耻垢分枝杆菌（Msmg）也表现出抑制活性。
• DNA primase and gyrase inhibitors
  申请人：B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY

  公开号：US11339189B2

  公开（公告）日：2022-05-24

  Disclosed herein are compounds that are selective DNA primase and/or gyrase inhibitors. Further disclosed are pharmaceutical compositions comprising these compounds, and the uses of these compounds for treating disorders associated with microbial infections.

  本文公开的化合物是选择性 DNA 引物酶和/或回旋酶抑制剂。还公开了包含这些化合物的药物组合物，以及这些化合物在治疗与微生物感染有关的疾病方面的用途。
• Design and synthesis of novel inhibitors of human kynurenine aminotransferase-I
  作者：Fady N. Akladios、Naveed A. Nadvi、Joohong Park、Jane R. Hanrahan、Vimal Kapoor、Mark D. Gorrell、W. Bret Church

  DOI：10.1016/j.bmcl.2011.12.138

  日期：2012.2

  Herein we report 6-ethoxy-6-oxo-5-(2-phenylhydrazono) hexanoic acid and 3-(2-carboxyethyl)-1H-indole- 2-carboxylic acid derivatives as synthetically accessible leads for human kynurenine aminotransferase-I (KAT-I) inhibitors. In total, 12 compounds were synthesized and their biological activities were determined using the HPLC-UV based KAT-I inhibition assay. Of the 12 compounds synthesized, 10 were found to inhibit human KAT-I and the most active compound was found to be 5-(2-(4-chlorophenyl) hydrazono)-6-ethoxy-6-oxohexanoic acid (9a) with an IC50 of 19.8 mu M. (C) 2012 Elsevier Ltd. All rights reserved.
• Trinh, Thi Anh Nga; Lamant, Maurice, Bulletin de la Societe Chimique de France, 1987, # 2, p. 361 - 364
  作者：Trinh, Thi Anh Nga、Lamant, Maurice

  DOI：——

  日期：——
• THI ANH NGA TRINH; LAMANT M., BULL. SOC. CHIM. FR.,(1987) N 2, 361-364
  作者：THI ANH NGA TRINH、 LAMANT M.

  DOI：——

  日期：——