2-(1H-吡唑-1-基)丙酸 | 956722-93-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-(1H-吡唑-1-基)丙酸
• 中文别名: 2-(1-吡唑)丙酸；2-吡唑-1-基丙酸
• 英文名称: 2-(1Hpyrazol-1-yl)propanoic acid
• 英文别名: 2-(1H-pyrazol-1-yl)propanoic acid；2-pyrazol-1-ylpropanoic acid
• CAS: 956722-93-3
• 化学式: C₆H₈N₂O₂
• mdl: MFCD08701066
• 分子量: 140.142
• InChiKey: BIFKSWDIQROCGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933199090

反应信息

• 作为反应物：
  描述：

  2-(1H-吡唑-1-基)丙酸 、 (R)-N-[2-(4-aminophenyl)ethyl]-2-hydroxy-2-(3-pyridyl)ethylcarbamic acid 1,1-dimethylethyl ester 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  Heterocyclic acetamide and benzamide derivatives as potent and selective β3-adrenergic receptor agonists with improved rodent pharmacokinetic profiles

  摘要：

  A series of amide derived beta 3-adrenergic receptor (AR) agonists is described. The discovery and optimization of several series of compounds derived from 1, is used to lay the SAR foundation for second generation beta 3-AR agonists for the treatment of overactive bladder. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.130

文献信息

• [EN] 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS<br/>[FR] ACIDES PROPIONIQUES À SUBSTITUTION EN POSITION 3 EN TANT QU'INHIBITEURS D'INTÉGRINE ALPHA V
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2018089353A1

  公开（公告）日：2018-05-17

  The present invention provides compounds of Formula (I): or stereoisomers, tautomers, or pharmaceutically acceptable salts or solvates thereof, wherein all the variables are as defined herein. These compounds are antagonists to αν- containing integrins. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating a disease, disorder, or condition associated with dysregulation of ay- containing integrins, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

  本发明提供了化合物的公式(I)：或其立体异构体、互变异构体或药学上可接受的盐或溶剂，其中所有变量如本文所定义。这些化合物是αν-含有整合素的拮抗剂。本发明还涉及包含这些化合物的药物组合物和使用这些化合物和药物组合物来治疗与ay-含有整合素失调相关的疾病、疾病或症状的方法，例如病理纤维化、移植排斥、癌症、骨质疏松症和炎症性疾病。
• [EN] SMALL MOLECULE MODULATORS OF IL-17<br/>[FR] MODULATEURS À PETITES MOLÉCULES D'IL-17
  申请人：LEO PHARMA AS

  公开号：WO2021255085A1

  公开（公告）日：2021-12-23

  The present invention relates to a compound according to formula (I) and pharmaceutically acceptable salts, hydrates, or solvates thereof. The invention further relates to said compounds for use in therapy, to pharmaceutical compositions comprising said compounds, to methods of treating diseases, e.g. dermal diseases, with said compounds, and to the use of said compounds in the manufacture of medicaments.

  本发明涉及公式（I）的化合物及其药学上可接受的盐、水合物或溶剂化物。本发明还涉及上述化合物在治疗中的应用，包括含有该化合物的制药组合物，使用该化合物治疗疾病的方法，例如皮肤疾病，并涉及在制药中使用该化合物的用途。
• [EN] METHODS OF PRODUCING PYRAZOLE COMPOUNDS<br/>[FR] PROCÉDÉS DE PRODUCTION DE COMPOSÉS PYRAZOLE
  申请人：TORRENT PHARMACEUTICALS LTD

  公开号：WO2020058945A1

  公开（公告）日：2020-03-26

  The present invention is directed to methods of producing substituted pyrazole based compounds through novel intermediates and unique processes for preparing such intermediates which enables synthesis of final product through commercially viable route of synthesis. The present invention is also directed to novel methods of producing substituted pyrazole based thyroid like compounds, and solid forms of 3-4-[(7-hydroxy-6-methyl-indan-4-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-propanoic acid, its pharmaceutical compositions, and methods of preparation thereof.

  本发明涉及通过新颖的中间体和独特的制备过程生产取代吡唑基化合物的方法，使得通过商业可行的合成路线合成最终产物成为可能。本发明还涉及生产取代吡唑基甲状腺样化合物的新颖方法，以及3-4-[(7-羟基-6-甲基-茚-4-基)甲基]-3,5-二甲基-1H-吡唑-1-基}-丙酸及其药物组合物的固态形式，以及其制备方法。
• Direct conversion of carboxylic acids to free thiols <i>via</i> radical relay acridine photocatalysis enabled by N–O bond cleavage
  作者：Dmitry L. Lipilin、Mikhail O. Zubkov、Mikhail D. Kosobokov、Alexander D. Dilman

  DOI：10.1039/d3sc05513b

  日期：——

  basic chemical compounds with diverse utility and widespread reactivity. However, the direct conversion of unprotected acids to thiols is hampered due to a fundamental problem – free thiols are incompatible with the alkyl radicals formed on decarboxylation of carboxylic acids. Herein, we describe a concept for the direct photocatalytic thiolation of unprotected acids allowing unprotected thiols and their

  羧酸和硫醇是具有多种用途和广泛反应性的基本化合物。然而，由于一个基本问题，未受保护的酸直接转化为硫醇受到阻碍——游离硫醇与羧酸脱羧形成的烷基不相容。在此，我们描述了未受保护的酸的直接光催化硫醇化的概念，从而获得未受保护的硫醇及其衍生物。该方法基于应用具有 N-O 键的硫代碳酸酯试剂。该试剂既可以快速捕获烷基自由基，又可以方便地再生吖啶型光催化剂。
• Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials
  申请人：Eigen Peter

  公开号：US20050148702A1

  公开（公告）日：2005-07-07

  Compositions comprising a mineral oil or wax and a liquid polysiloxane substituted by functional groups, an anionic surfactant and additionally a molecular mono- or polycarboxylic acid and optionally any emulsifiable, hydrophilic or amphiphilic polymer comprising carboxyl groups are outstanding water repellents for leather, furskins, textiles and fibrous materials.

  由矿物油或蜡和被官能团取代的液态聚硅氧烷、阴离子表面活性剂以及单羧酸或多羧酸分子和可选的包含羧基的任何可乳化的亲水或两性聚合物组成的复合物是皮革、毛皮、纺织品和纤维材料的出色防水剂。