1-methyl-4-phenylpyrazol-3-amine | 30823-51-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-methyl-4-phenylpyrazol-3-amine
• 英文别名: 3-amino-1-methyl-4-phenylpyrazole；3-Amino-1-methyl-4-phenyl-pyrazol；1-methyl-4-phenyl-1H-pyrazol-3-ylamine；1-methyl-4-phenyl-1H-pyrazol-3-amine
• CAS: 30823-51-9
• 化学式: C₁₀H₁₁N₃
• mdl: MFCD20483751
• 分子量: 173.217
• InChiKey: OLKUXLRZLWXAHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ethyl 3-hydroxy-2-phenylacrylate 、 1-methyl-4-phenylpyrazol-3-amine 以 二乙二醇二甲醚 为溶剂， 反应 10.0h， 以50%的产率得到1-Methyl-3,6-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
  参考文献：
  名称：

  Synthesis and BZR affinity of pyrazolo[1,5-a]pyrimidine derivatives. part 1: study of the structural features for BZR recognition

  摘要：

  Examination of the pharmacophoric points of the pyrazolo[1,5-a]pyrimidine derivatives, ligands for BZR, previously published led us to the design of a novel class of 3,6-diaryl-4,7-dihydro-pyrazolo[1,5-a]pyrimidin-7-ones and to determine the groups involved in the BZR recognition. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00232-1
• 作为产物：
  描述：

  (Z)-β-fluoro-α-phenylacrylonitrile 、 甲基肼 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 10.0h， 以84%的产率得到1-methyl-4-phenylpyrazol-3-amine
  参考文献：
  名称：

  Ege, Guenter; Franz, Hermann, Journal of Heterocyclic Chemistry, 1982, vol. 19, p. 1267 - 1273

  摘要：

  DOI：

文献信息

• [EN] COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS<br/>[FR] COMPOSES ET COMPOSITIONS UTILISES COMME INHIBITEURS DE LA CATHEPSINE S
  申请人：NOVARTIS AG

  公开号：WO2006018284A1

  公开（公告）日：2006-02-23

  The present invention relates to the use of a 2-cyanopyrimidine compound of the formula (I), wherein R1, R2, R3 and X are as defined in the specification and in the claims, in free form or in salt form, and , where possible, in tautomeric form, as an inhibitor of the activity of cathepsin S.

  本发明涉及使用式(I)的2-氰基嘧啶化合物，其中R1、R2、R3和X如规范和权利要求中定义的那样，以自由形式或盐形式，并在可能的情况下以互变异构形式，作为猫hepsin S活性的抑制剂。
• [EN] HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS AMINO-PYRIDINE SUBSTITUÉS HÉTÉROCYCLIQUES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：EPIZYME INC

  公开号：WO2016044666A1

  公开（公告）日：2016-03-24

  The present disclosure relates to heterocycle substituted amino-pyridine compounds. The present disclosure also relates to pharmaceutical compositions containing these compounds and methods of treating cancer by administering these compounds and pharmaceutical compositions to subjects in need thereof. The present disclosure also relates to the use of such compounds for research or other non-therapeutic purposes.

  本公开涉及杂环取代的氨基吡啶化合物。本公开还涉及含有这些化合物的药物组合物，以及通过将这些化合物和药物组合物用于需要的受试者来治疗癌症的方法。本公开还涉及将这些化合物用于研究或其他非治疗目的的用途。
• COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS
  申请人：Hart Terance William

  公开号：US20090048230A1

  公开（公告）日：2009-02-19

  The present invention relates to the use of a 2-cyanopyrimidine compound of the formula wherein R 1 , R 2 , R 3 and X are as defined in the specification and in the claims, in free form or in salt form, and, where possible, in tautomeric form, as an inhibitor of the activity of cathepsin S.

  本发明涉及使用式中R1、R2、R3和X如规范和权利要求中定义的2-氰基嘧啶化合物的自由形式或盐形式及在可能的情况下互变异构体形式，作为猫hepsin S活性的抑制剂。
• EGE, G.;FRANZ, H., J. HETEROCYCL. CHEM., 1982, 19, N 6, 1267-1273
  作者：EGE, G.、FRANZ, H.

  DOI：——

  日期：——
• HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Epizyme, Inc.

  公开号：US20170291890A1

  公开（公告）日：2017-10-12

  The present disclosure relates to heterocycle substituted amino-pyridine compounds. The present disclosure also relates to pharmaceutical compositions containing these compounds and methods of treating cancer by administering these compounds and pharmaceutical compositions to subjects in need thereof. The present disclosure also relates to the use of such compounds for research or other non-therapeutic purposes.