1H-吡唑-3-羰酰氯 | 717871-84-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1H-吡唑-3-羰酰氯
• 英文名称: 1H-pyrazole-3-carbonyl chloride
• 英文别名: 1H-pyrazole-5-carbonyl chloride
• CAS: 717871-84-6
• 化学式: C₄H₃ClN₂O
• mdl: MFCD28396261
• 分子量: 130.534
• InChiKey: ZLIZZDCWMOGEGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1H-吡唑-3-羰酰氯 在 sodium azide 作用下， 以 水 为溶剂， 反应 1.0h， 生成 吡唑-3-羰基叠氮化物
  参考文献：
  名称：

  Novel Tetrahydropyrido[1,2-a]isoindolone Derivatives (Valmerins): Potent Cyclin-Dependent Kinase/Glycogen Synthase Kinase 3 Inhibitors with Antiproliferative Activities and Antitumor Effects in Human Tumor Xenografts

  摘要：

  The development of CDK and GSK3 inhibitors has been regarded as a potential therapeutic approach, and a substantial number-of-diverse structures have been reported to inhibit CDKs and GSK-3 beta. in recent years. Only a few molecules have gone through or are currently undergoing clinical trials as CDK and GSK inhibitors. In this paper, we prepared valmerins, a new family containing the tetrahydropyrido[1,2-a]isoindone core. The fused heterocycle was prepared with a straightforward synthesis that was functionalized by a (het)arylurea. Twelve valmerins inhibited the CDK5 and GSK3 with an IC50 < 100 nM. A semiquantitative kinase scoring was realized, and a cellular screening was done. At the end of study, we investigated the in vivo potency of one valmerin. Mice exhibited good tolerance to our lead, which proved its efficacy and clearly blocked tumor growth. Valmerins appear also as good candidates: for further development as anticancer agents.

  DOI：

  10.1021/jm3008536
• 作为产物：
  描述：

  吡唑-3-甲酸 在 氯化亚砜 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 1H-吡唑-3-羰酰氯
  参考文献：
  名称：

  具有增强的热稳定性和低灵敏度的1,2,4-恶二唑桥连的聚硝基吡唑高能材料。

  摘要：

  据报道，具有C-硝基/ N-硝基官能团的单或二（1,2,4-恶二唑）桥联的聚硝基吡唑衍生物家族。所有化合物均通过IR，NMR（1 H，13 C），元素分析和差示扫描量热法（DSC）进行了全面表征。用X射线衍射进一步研究了固态结构特征。其中，化合物3,5-双（3,4-二硝基-1H-吡唑-5-基）-1,2,4-恶二唑（3a）和5,5'-双（3,4-二硝基- 1H-吡唑-5-基）-3,3'-双（1,2,4-恶二唑）（3 b）具有很高的热稳定性（3 a：Tdec = 274°C; 3 b：Tdec = 272°C ），灵敏度（IS> 30 J，FS> 360 N）和相当的爆震性能（3 a：Dv = 8741 m s-1，P = 34.0 GPa; 3 b：Dv = 8685 m s-1，P = 33.4 Gpa ）到RDX。此外，3,5-双（4-硝基-1H-吡唑-3-基）-1,2,4-恶二唑（4a）和5

  DOI：

  10.1002/cplu.201900454

文献信息

• NAPHTHYRIDINES AS INHIBITORS OF HPK1
  申请人：Genentech, Inc.

  公开号：US20180282328A1

  公开（公告）日：2018-10-04

  Naphthyridine compounds and their use as inhibitors of HPK1 are described. The compounds are useful in treating HPK1-dependent disorders and enhancing an immune response. Also described are methods of inhibiting HPK1, methods of treating HPK1-dependent disorders, methods for enhancing an immune response, and methods for preparing the naphthyridine compounds.

  萘啶化合物及其作为HPK1抑制剂的用途被描述。这些化合物在治疗HPK1依赖性疾病和增强免疫反应方面很有用。还描述了抑制HPK1的方法、治疗HPK1依赖性疾病的方法、增强免疫反应的方法以及制备萘啶化合物的方法。
• [EN] 2 - BENZYL, 3 - (PYRIMIDIN- 2 -YL) SUBSTITUTED PYRAZOLES USEFUL AS SGC STIMULATORS<br/>[FR] PYRAZOLES 2-BENZYLE, 3-(PYRIMIDIN-2-YLE)-SUBSTITUÉS UTILES COMME STIMULATEURS DE SCG
  申请人：IRONWOOD PHARMACEUTICALS INC

  公开号：WO2013101830A1

  公开（公告）日：2013-07-04

  2-Benzyl, 3 - (pyrimidin- 2 -YL) substituted pyrazoles are described. They are useful as stimulators of sGC, particularly NO - independent, heme - dependent stimulators. These compounds may be useful for treating, preventing or managing various disorders that are herein disclosed.

  描述了2-苄基，3-（嘧啶-2-基）取代的吡唑啉。它们可作为sGC的刺激剂，特别是NO-独立的、血红蛋白依赖的刺激剂。这些化合物可能对治疗、预防或管理本文披露的各种疾病有用。
• [EN] SULFONAMIDE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT OF CANCER<br/>[FR] COMPOSÉS DE SULFONAMIDE ET LEUR UTILISATION DANS LE TRAITEMENT DU CANCER
  申请人：TROBIO THERAPEUTICS PTY LTD

  公开号：WO2021072487A1

  公开（公告）日：2021-04-22

  The present disclosure relates generally to a class of sulfonamide-based compounds, compositions containing the same and the therapeutic use of the compounds in the treatment of cancer.

  本公开涉及一类基于磺胺酰胺的化合物，包含这些化合物的组合物以及这些化合物在治疗癌症中的治疗用途。
• [EN] NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS<br/>[FR] NOUVEAUX COMPOSÉS ET LEURS COMPOSITIONS PHARMACEUTIQUES POUR LE TRAITEMENT DE LA MUCOVISCIDOSE
  申请人：GALAPAGOS NV

  公开号：WO2014180562A1

  公开（公告）日：2014-11-13

  The present invention discloses compounds according to Formula (I), wherein R1, R2, R3, L, and the subscript m are as defined herein. The present invention relates to compounds and their use in the treatment of cystic fibrosis, methods for their production, pharmaceutical compositions, and methods of treatment using the same, for the treatment of cystic fibrosis by administering a compound of the invention.

  本发明揭示了根据式（I）的化合物，其中R1、R2、R3、L和下标m的定义如本文所述。本发明涉及这些化合物及其在囊性纤维化治疗中的应用，其生产方法，药物组合物和使用相同的治疗方法，通过给予本发明的化合物治疗囊性纤维化。
• Discovery of GLPG2451, a Novel Once Daily Potentiator for the Treatment of Cystic Fibrosis
  作者：Steven E. Van der Plas、Hans Kelgtermans、Oscar Mammoliti、Christel Menet、Giovanni Tricarico、Ann De Blieck、Caroline Joannesse、Tom De Munck、Dominique Lambin、Marlon Cowart、Sebastien Dropsit、Sebastien L. X. Martina、Maarten Gees、Anne-Sophie Wesse、Katja Conrath、Martin Andrews

  DOI：10.1021/acs.jmedchem.0c01796

  日期：2021.1.14

  Cystic fibrosis (CF) is a life-threatening recessive genetic disease caused by mutations in the gene encoding for the cystic fibrosis transmembrane conductance regulator (CFTR). With the discovery of Ivacaftor and Lumacaftor, it has been shown that administration of one or more small molecules can partially restore the CFTR function. Correctors are small molecules that enhance the amount of CFTR on

  囊性纤维化 (CF) 是一种威胁生命的隐性遗传疾病，由编码囊性纤维化跨膜电导调节剂 (CFTR) 的基因突变引起。随着 Ivacaftor 和 Lumacaftor 的发现，已经表明给予一种或多种小分子可以部分恢复 CFTR 功能。校正剂是增强细胞表面 CFTR 量的小分子，而增效剂可改善 CFTR 通道的门控功能。在此，我们描述了一种新型增效剂系列的发现和优化。支架跳跃，专注于保留不同的分子内接触，在整个发现过程中至关重要，以确定一个没有遗传毒性责任的新系列。从该系列中，根据其药代动力学特性选择了临床候选物 GLPG2451，