3-(1H-吡唑-4-基)丙酸 | 1174309-53-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 3-(1H-吡唑-4-基)丙酸
• 英文名称: 3-(1H-pyrazol-4-yl)propanoic acid
• CAS: 1174309-53-5
• 化学式: C₆H₈N₂O₂
• mdl: MFCD09864329
• 分子量: 140.142
• InChiKey: YOFXFEFEHOILIF-UHFFFAOYSA-N

物化性质

• 沸点：
  377.8±17.0 °C(Predicted)
• 密度：
  1.335±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  66
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(1H-吡唑-4-基)丙酸 、 (5alpha,6beta)-6-氨基-17-(环丙基甲基)-4,5-环氧-吗喃-3,14-二醇 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 、 三乙胺 、 potassium carbonate 、 盐酸 作用下， 以 N,N-二甲基甲酰胺 、 甲醇 为溶剂， 生成 17-cyclopropylmethyl-3,14β-dihydroxy-4,5α-epoxy-6β-[3'-(pyrazolyl-4''-yl)propanamido]morphinan
  参考文献：
  名称：

  Rational Design, Chemical Syntheses, and Biological Evaluations of Peripherally Selective Mu Opioid Receptor Ligands as Potential Opioid Induced Constipation Treatment

  摘要：

  DOI：

  10.1021/acs.jmedchem.1c02185

文献信息

• TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS
  申请人：Incyte Corporation

  公开号：US20140121198A1

  公开（公告）日：2014-05-01

  The present invention provides tricyclic fused thiophene derivatives, as well as their compositions and methods of use, that modulate the activity of Janus kinase (JAK) and are useful in the treatment of diseases related to the activity of JAK including, for example, inflammatory disorders, autoimmune disorders, cancer, and other diseases.

  本发明提供了三环融合噻吩衍生物，以及它们的组合物和使用方法，这些衍生物调节Janus激酶（JAK）的活性，并且在治疗与JAK活性相关的疾病方面具有用处，例如炎症性疾病、自身免疫性疾病、癌症和其他疾病。
• [EN] DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES<br/>[FR] DÉRIVÉS DE DIHYDRO-PYRROLO-PYRIDINE
  申请人：PFIZER

  公开号：WO2018234953A1

  公开（公告）日：2018-12-27

  The present invention provides, in part, compounds of Formula I, or an N-oxide thereof, or a pharmaceutically acceptable salt of the compound or the N- oxide, wherein: (R1)a, (R2)b, (R3)c, L, A, and E are as described herein; processes for the preparation of; intermediates used in the preparation of; and compositions containing such compounds, N-oxides, or salts, and their uses for treating M4-mediated (or M4- associated) disorders including, e.g., Alzheimer's Disease, schizophrenia (e.g., its cognitive and negative symptoms), pain, addiction, and a sleep disorder.

  本发明部分提供了Formula I的化合物，或其N-氧化物，或该化合物或N-氧化物的药用盐，其中：(R1)a，(R2)b，(R3)c，L，A和E如本文所述；用于制备的过程；用于制备的中间体；以及含有这种化合物、N-氧化物或盐的组合物，以及它们用于治疗M4介导的（或M4相关的）疾病，包括例如阿尔茨海默病、精神分裂症（例如其认知和消极症状）、疼痛、成瘾和睡眠障碍。
• [EN] PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS<br/>[FR] COMPOSÉS PYRAZOLE COMME ANTAGONISTES DU CRTH2
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2011092140A1

  公开（公告）日：2011-08-04

  The present invention relates to pyrazole compounds of formula (I) and pharmaceutically acceptable salts thereof having CRTH2-activity, wherein W, L1, L2, X, L3, Y, R1 and R2 are as defined in the specification and claims, to their use as medicaments and to pharmaceutical formulations, containing said compounds or containing a combination of said compounds with one or more active substances.

  本发明涉及具有CRTH2活性的式（I）的吡唑化合物及其药学上可接受的盐，其中W、L1、L2、X、L3、Y、R1和R2如规范和索赔中定义，其用作药物和含有该化合物或与一个或多个活性物质的组合物的药物配方。
• PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS
  申请人：OOST Thorsten

  公开号：US20120028938A1

  公开（公告）日：2012-02-02

  The present invention relates to pyrazole compounds of formula (I) and pharmaceutically acceptable salts thereof having CRTH2-activity, wherein W, L 1 , L 2 , X, L 3 , Y, R 1 and R 2 are as defined in the specification and claims, to their use as medicaments and to pharmaceutical formulations, containing said compounds or containing a combination of said compounds with one or more active substances.

  本发明涉及具有CRTH2活性的式(I)的吡唑化合物及其药学上可接受的盐，其中W、L1、L2、X、L3、Y、R1和R2如规范和索赔中所定义，以及它们作为药物的用途和包含该化合物或包含该化合物与一种或多种活性物质的组合物的制药配方。
• Tricyclic fused thiophene derivatives as JAK inhibitors
  申请人：Incyte Corporation

  公开号：US10370387B2

  公开（公告）日：2019-08-06

  The present invention provides tricyclic fused thiophene derivatives, as well as their compositions and methods of use, that modulate the activity of Janus kinase (JAK) and are useful in the treatment of diseases related to the activity of JAK including, for example, inflammatory disorders, autoimmune disorders, cancer, and other diseases.

  本发明提供了三环融合噻吩衍生物及其组合物和使用方法，这些衍生物可调节Janus激酶（JAK）的活性，并可用于治疗与JAK活性有关的疾病，例如包括炎症性疾病、自身免疫性疾病、癌症和其他疾病。