4-(氨基甲基)-1-异丙基吡唑 | 936940-09-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 4-(氨基甲基)-1-异丙基吡唑
• 中文别名: (1-异丙基-1H-吡唑-4-基)甲胺
• 英文名称: (1-isopropyl-1H-pyrazol-4-yl)methanamine
• 英文别名: (1-propan-2-ylpyrazol-4-yl)methanamine
• CAS: 936940-09-9
• 化学式: C₇H₁₃N₃
• mdl: MFCD08700560
• 分子量: 139.2
• InChiKey: VMNKYEWGKWZUNI-UHFFFAOYSA-N

物化性质

• 沸点：
  234.0±15.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933199090
• 危险性防范说明：
  P264,P280,P302+P352,P305+P351+P338,P332+P313,P337+P313,P362
• 危险性描述：
  H315,H319

反应信息

• 作为反应物：
  描述：

  4-(氨基甲基)-1-异丙基吡唑 、 4-methyl-3-((4-methylphenyl)sulfonamido)benzoic acid 在 三乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 以60%的产率得到N-((1-isopropyl-1H-pyrazol-4-yl)methyl)-4-methyl-3-((4-methylphenyl)sulfonamido)benzamide
  参考文献：
  名称：

  [EN] PYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR, USE THEREOF AND PHARMACEUTICAL COMPOSITION THEREOF
  [FR] COMPOSÉ PYRAZOLE, SON PROCÉDÉ DE PRÉPARATION, SON UTILISATION ET COMPOSITION PHARMACEUTIQUE ASSOCIÉE
  [ZH] 吡唑类化合物及其制备方法、用途和药物组合物

  摘要：

  一种取代的吡唑类化合物及其制备方法、用途和药物组合物。所述吡唑类化合物由式(I)所示，其为STAT3信号通路抑制剂，可以用于预防和/或治疗与STAT3活性相关的疾病，如肿瘤、自身免疫性疾病、肾脏疾病、心血管疾病、炎性疾病、代谢/内分泌功能障碍或神经疾病。

  公开号：

  WO2021248256A1

文献信息

• 吡唑类化合物及其制备方法、用途和药物组合物
  申请人：中国医学科学院药物研究所

  公开号：CN111285806B

  公开（公告）日：2022-04-15

  本发明涉及一种取代的吡唑类化合物及其制备方法、用途和药物组合物。所述吡唑类化合物由式(I)所示，其为STAT3信号通路抑制剂，可以用于预防和/或治疗与STAT3活性相关的疾病，如肿瘤、自身免疫性疾病、肾脏疾病、心血管疾病、炎性疾病、代谢/内分泌功能障碍或神经疾病。
• Discovery of triazolopyrimidine-based PDE8B inhibitors: Exceptionally ligand-efficient and lipophilic ligand-efficient compounds for the treatment of diabetes
  作者：Michael P. DeNinno、Stephen W. Wright、John B. Etienne、Thanh V. Olson、Benjamin N. Rocke、Jeffrey W. Corbett、Daniel W. Kung、Kenneth J. DiRico、Kim M. Andrews、Michele L. Millham、Janice C. Parker、William Esler、Maria van Volkenburg、David D. Boyer、Karen L. Houseknecht、Shawn D. Doran

  DOI：10.1016/j.bmcl.2012.06.079

  日期：2012.9

  PDE8B is a cAMP-specific isoform of the broader class of phosphodiesterases (PDEs). As no selective PDE8B inhibitors had been reported, a high throughput screen was run with the goal of identifying selective tools for exploring the potential therapeutic utility of PDE8B inhibition. Of the numerous hits, one was particularly attractive since it was amenable to rapid deconstruction leading to inhibitors with very high ligand efficiency (LE) and lipophilic ligand efficiency (LLE). These triazolopyrimidines were optimized for potency, selectivity and ADME properties ultimately leading to compound 42. This compound was highly potent and selective with good bioavailability and advanced into pre-clinical development. (C) 2012 Elsevier Ltd. All rights reserved.
• COMBINATION THERAPIES WITH EHMT2 INHIBITORS
  申请人：Epizyme, Inc.

  公开号：US20200054635A1

  公开（公告）日：2020-02-20

  The present disclosure relates to a method of preventing or treating a cancer via administering an EHMT2 inhibitor or a combination comprising an EHMT2 inhibitor compound and one or more additional therapeutic agent disclosed herein or a pharmaceutical composition thereof to subjects in need thereof. The present disclosure also relates to the use of such compounds or combinations for research or other non-therapeutic purposes.
• METHODS OF USING EHMT2 INHIBITORS
  申请人：Epizyme, Inc.

  公开号：US20200113901A1

  公开（公告）日：2020-04-16

  The present disclosure relates to a method of preventing or treating an imprinting disorder via administering an EHMT2 inhibitor compound disclosed herein or a pharmaceutical composition thereof to subjects in need thereof. The present disclosure also relates to the use of such compounds for research or other non-therapeutic purposes.
• AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND DERIVATIVES THEREOF
  申请人：Epizyme, Inc.

  公开号：US20200317642A1

  公开（公告）日：2020-10-08

  The present disclosure relates to amine-substituted heterocyclic compounds and derivatives thereof. The present disclosure also relates to pharmaceutical compositions containing these compounds and methods of treating a disorder (e.g., cancer) by administering an amine-substituted heterocyclic compound disclosed herein or a pharmaceutical composition thereof to subjects in need thereof. The present disclosure also relates to the use of such compounds for research or other non-therapeutic purposes.