2H-吲唑-7-甲酰胺 | 952479-70-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 中文名称: 2H-吲唑-7-甲酰胺
• 英文名称: 2H-indazole-7-carboxamide
• 英文别名: 1H-Indazole-7-carboxamide
• CAS: 952479-70-8
• 化学式: C₈H₇N₃O
• mdl: MFCD11870747
• 分子量: 161.163
• InChiKey: ZWZKHJQCLZIUIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.8
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2H-吲唑-7-甲酰胺 在 水 、 potassium carbonate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.5h， 生成 2-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propyl)-2H-indazole-7-carboxamide
  参考文献：
  名称：

  [EN] 2H-INDAZOLE-7-FORMAMIDE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION
  [FR] COMPOSÉ DE 2H-INDAZOLE-7-FORMAMIDE, PROCÉDÉ DE PRÉPARATION, COMPOSITION PHARMACEUTIQUE, ET APPLICATION
  [ZH] 2H-吲唑-7-甲酰胺类化合物、制备方法、药物组合物和应用

  摘要：

  本发明公开了一类2H-吲唑-7-甲酰胺类化合物、制备方法、药物组合物和应用。该类化合物结构如式(I)，其包含其异构体、药学上可接受的盐或它们的混合物。该类化合物及其药物组合物在体内具有优异的药代动力学性质，具有显著的成药优势。对PARP7、PRAP1和多种肿瘤细胞均具有高效的抑制作用，制备的抗肿瘤药物在分子水平、细胞水平及动物水平上均可以发挥良好的药效，尤其是在体内对恶性较高的结肠癌、肺腺癌、三阴性乳腺癌也具有优异的抗肿瘤活性。此外化合物的制备方法简便易行。

  公开号：

  WO2023143236A1
• 作为产物：
  描述：

  7-羧基-1H-吲唑 在 氯甲酸乙酯 、 三乙胺 、 氨 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以92%的产率得到2H-吲唑-7-甲酰胺
  参考文献：
  名称：

  Inhibitory effects of a series of 7-substituted-indazoles toward nitric oxide synthases: Particular potency of 1H-indazole-7-carbonitrile

  摘要：

  A series of new 7-monosubstituted and 3,7-disubstituted indazoles have been prepared and evaluated as inhibitors of nitric oxide synthases (NOS). 1H-Indazole-7-carbonitrile (6) was found equipotent to 7-nitro-1H-indazole (1) and demonstrated preference for constitutive NOS over inducible NOS. By contrast, 1H-indazole-7-carboxamide (8) was slightly less potent but demonstrated a surprising selectivity for the neuronal NOS. Further substitution of 6 by a Br-atom at carbon-3 of the heterocycle enhanced 10-fold the inhibitory effects. Inhibition of NO formation by 6 appeared to be competitive versus both substrate and the cofactor (6R)-5,6,7,8-tetrahydro-L-biopterin (H4B). In close analogies with 1, compound 6 strongly inhibited the NADPH oxidase activity of nNOS and induced a spin state transition of the heme-Fe-III. Our results are explained with the help of the X-ray structures that identified key-features for binding of 1 at the active site of NOS. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.04.056

文献信息

• [EN] INDAZOLE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS<br/>[FR] COMPOSÉS D'INDAZOLE EN TANT QU'AGONISTES DE RÉCEPTEUR DE 5-HT4
  申请人：SUVEN LIFE SCIENCES LTD

  公开号：WO2015092804A1

  公开（公告）日：2015-06-25

  The present invention relates to novel indazole compounds of the Formula (I), wherein, R1 is alkyl or cycloalkyl; (Formula II) including their stereoisomers and their pharmaceutically acceptable salts. This invention also relates to methods of making such compounds and pharmaceutical compositions comprising such compounds. The compounds of this invention are useful in the treatment of various disorders that are related to 5-Hydroxytryptamine 4 (5-HT4) receptor agonists

  本发明涉及一种新型吲唑化合物，其化学式为（I），其中R1为烷基或环烷基；（化学式II），包括其立体异构体和药学上可接受的盐。本发明还涉及制备这种化合物的方法和包含这种化合物的药物组合物。本发明的化合物在治疗与5-羟色胺4（5-HT4）受体激动剂相关的各种疾病中是有用的。
• Indole, indazole and indoline derivatives as CETP inhibitors
  申请人：Conte-Mayweg Aurelia

  公开号：US20060030613A1

  公开（公告）日：2006-02-09

  The present invention relates to compounds of formula (I): wherein —X—Y—, R 1 to R 11 and n are as defined in the description and claims, and pharmaceutically acceptable salts thereof. The compounds are useful for the treatment and/or prevention of diseases which are mediated by CETP inhibitors.

  本发明涉及以下式(I)的化合物： 其中-X-Y-, R1至R11和n如描述和权利要求中所定义，并且其药学上可接受的盐。这些化合物对于治疗和/或预防通过CETP抑制剂介导的疾病是有用的。
• [EN] NIRAPARIB COMPOSITIONS<br/>[FR] COMPOSITIONS DE NIRAPARIB
  申请人：TESARO INC

  公开号：WO2018183354A1

  公开（公告）日：2018-10-04

  The present invention relates to compositions comprising the compound niraparib, in particular certain solid forms of niraparib.

  本发明涉及包含尼拉帕尼布化合物的组合物，特别是尼拉帕尼布的某些固体形式。
• [EN] AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY (ADP-RIBOSE) POLYMERASE INHIBITORS<br/>[FR] DÉRIVÉS D'INDAZOLE À SUBSTITUTION AMIDE EN TANT QU'INHIBITEURS DE POLY (ADP-RIBOSE) POLYMÉRASE
  申请人：BETTA PHARMACEUTICALS CO LTD

  公开号：WO2015051766A1

  公开（公告）日：2015-04-16

  The present invention relates to amide substituted indazoles and benzotriazoles which are inhibitors of the enzyme poly (ADP-ribose) polymerase (PARP), previously known as poly (ADP-ribose) synthase and poly (ADP-ribosyl) transferase. The compounds of the present invention are useful as mono-therapies in tumors with specific defects in DNA-repair pathways, as enhancers of certain DNA-damaging agents such as anticancer agents and radiotherapy, for reducing cell necrosis (in stroke and myocardial infarction), regulating inflammation and tissue injury, treating retroviral infections, and protecting against the toxicity of chemotherapy.

  本发明涉及酰胺取代的吲唑和苯并三唑，它们是酶聚(ADP-核糖)聚合酶（PARP）的抑制剂，以前被称为聚(ADP-核糖)合酶和聚(ADP-核糖基)转移酶。本发明的化合物可用作特定DNA修复途径缺陷肿瘤的单一治疗方法，作为某些DNA损伤药物如抗癌药物和放疗的增效剂，用于减少细胞坏死（在中风和心肌梗死中），调节炎症和组织损伤，治疗逆转录病毒感染，以及保护免受化疗毒性的影响。
• [EN] SINGLE MOLECULE COMPOUNDS PROVIDING MULTI-TARGET INHIBITION OF PARP AND OTHER PROTEINS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS MONOMOLÉCULAIRES PERMETTANT UNE INHIBITION MULTI-CIBLE DE PARP ET AUTRES PROTÉINES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：SIGNALRX PHARMACEUTICALS INC

  公开号：WO2018236971A1

  公开（公告）日：2018-12-27

  The invention relates to compounds useful for inhibiting PARP and at least one other protein and to methods of treating diseases including cancer by administration of a compound(s) of Formula I-V (or pharmaceutically acceptable salts thereof) as defined herein.

  该发明涉及用于抑制PARP和至少一种其他蛋白质的化合物，以及通过给定定义的化合物（或其药用盐）的给药治疗包括癌症在内的疾病的方法。