7-chloro-1-methyl-1H-indole-3-carbaldehyde | 620175-79-3

• 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: 7-chloro-1-methyl-1H-indole-3-carbaldehyde
• 英文别名: 7-chloro-1-methylindole-3-carbaldehyde
• CAS: 620175-79-3
• 化学式: C₁₀H₈ClNO
• 分子量: 193.633
• InChiKey: YUUPHJABEBYLPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  22
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  7-chloro-1-methyl-1H-indole-3-carbaldehyde 在 哌啶 、 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 28.0h， 生成 5-(7-Chloro-1methyl-1H-indol-3-ylmethyl)-3-methylimidazolidine-2,4-dione
  参考文献：
  名称：

  Structure–activity relationship study of novel necroptosis inhibitors

  摘要：

  Necroptosis is a regulated caspase-independent cell death mechanism that results in morphological features resembling necrosis. It can be induced in a FADD-deficient variant of human Jurkat T cells treated with TNF-alpha. 5-(1H-Indol-3-ylmethyl)-2-thiohydantoins and 5-(1H-indol-3-ylmethyl)hydantoins were found to be potent necroptosis inhibitors (called necrostatins). A SAR study revealed that several positions of the indole were intolerant of substitution, while small substituents at the 7-position resulted in increased inhibitory activity. The hydantoin ring was also quite sensitive to structural modifications. A representative member of this compound class demonstrated moderate pharmacokinetic characteristics and readily entered the central nervous system upon intravenous administration. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.077
• 作为产物：
  描述：

  7-氯吲哚 在 N-甲基环己胺 、 溶剂黄146 、 sodium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 70.0h， 生成 7-chloro-1-methyl-1H-indole-3-carbaldehyde
  参考文献：
  名称：

  一种稳定且可回收的 Z 型 g-C3N4/rGO/BiVO4 异质结光催化剂，用于在可见光下以甲醇为甲酰源的吲哚的位点选择性 C-3 甲酰化

  摘要：

  通过简便的两步水热法构建了一种稳定且可回收的 Z 型 gC 3 N 4 /rGO/BiVO 4异质结光催化剂。该光催化剂首次以甲醇为原子经济型甲酰源，以30% gC 3 N 4 / rGO/BiVO 4为原料，以吲哚为原料合成C-3甲酰化吲哚。表现出优异的光催化效率。猝灭实验表明，光生电子和空穴是实现反应的主要光活性物质。这种甲酰化反应具有优异的官能团耐受性、可重复使用的光催化剂和温和的反应条件等优点。克级合成表明了该策略在实际应用中的未来前景。

  DOI：

  10.1039/d2gc03858g

文献信息

• HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS
  申请人：THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

  公开号：US20160168140A1

  公开（公告）日：2016-06-16

  The invention relates to heterocyclic compounds and their use as antibiotics and/or as antibiotic potentiators. The compounds may act as colistin potentiators and SOS inhibitors.

  这项发明涉及杂环化合物及其作为抗生素和/或抗生素增效剂的用途。这些化合物可能作为科利斯汀增效剂和SOS抑制剂起作用。
• Inhibitors of cellular necrosis
  申请人：Cuny D. Gregory

  公开号：US20050119260A1

  公开（公告）日：2005-06-02

  The present invention relates to compounds and pharmaceutical preparations and their use in therapy for preventing or treating trauma, ischemia, stroke and degenerative diseases associated with cell death. Methods and compositions of the invention are particularly useful for treating neurological disorders associated with cellular necrosis.

  本发明涉及化合物、药物制剂及其在预防或治疗与细胞死亡相关的创伤、缺血、中风和退行性疾病中的应用的治疗。本发明的方法和组合物特别适用于治疗与细胞坏死相关的神经系统疾病。
• [EN] BICYCLIC HETEROAROMATIC UREA OR CARBAMATE COMPOUNDS FOR USE IN THERAPY<br/>[FR] COMPOSÉS D'URÉE OU DE CARBAMATE HÉTÉROAROMATIQUES BICYCLIQUES DESTINÉS À ÊTRE UTILISÉS EN THÉRAPIE
  申请人：EUROPEAN MOLECULAR BIOLOGY LABORATORY

  公开号：WO2018229197A1

  公开（公告）日：2018-12-20

  The present invention relates to bicyclic heteroaromatic urea or carbamate compounds of formula I where the variables are as defined in the claims and the description. The invention moreover relates to a pharmaceutical composition containing these compounds I, and to these compounds for use in therapy, especially for use in the treatment or prevention of a disease or disorder selected from the group consisting of an inflammatory disease, a hyperproliferative disease or disorder, a hypoxia-related pathology and a disease characterized by excessive vascularization.

  本发明涉及公式I的二环杂环尿素或碳酸酯化合物，其中变量如权利要求和说明书中所定义。此外，本发明还涉及含有这些化合物I的制药组合物，以及这些化合物在治疗中的使用，特别是用于治疗或预防炎症性疾病、过度增殖性疾病或失调、低氧病理和过度血管化的疾病。
• Fab I inhibitors
  申请人：Burgess J. Walter

  公开号：US20060116394A1

  公开（公告）日：2006-06-01

  Compounds are disclosed which are Fab I inhibitors and are useful in the treatment bacterial infections.

  本发明揭示了一种Fab I抑制剂，可用于治疗细菌感染。
• Compositions comprising multiple bioactive agents, and methods of using the same
  申请人：Berman M. Judd

  公开号：US20060142265A1

  公开（公告）日：2006-06-29

  In part, the present invention is directed to compositions comprising a FabI inhibitor and at least one other bioactive agent. In another part, the present invention is directed to antibacterial compositions comprising a compound of formulas I-III and at least one other antibacterial agent.

  本发明的一部分涉及含有FabI抑制剂和至少一种其他生物活性剂的组合物。另一部分，本发明涉及含有I-III式化合物和至少一种其他抗菌剂的抗菌组合物。