3-(3-methyl-1H-pyrazol-1-yl)propan-1-amine | 62821-91-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(3-methyl-1H-pyrazol-1-yl)propan-1-amine
• 英文别名: 3-(3-methylpyrazol-1-yl)propan-1-amine
• CAS: 62821-91-4
• 化学式: C₇H₁₃N₃
• mdl: MFCD03194398
• 分子量: 139.2
• InChiKey: CRXPPSOPUXNVOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  (R)-1-(3-((3'-(3-bromopropoxy)-2,2'-dimethyl-[1,1'-biphenyl]-3-yl)oxy)propyl)pyrrolidin-3-ol 、 3-(3-methyl-1H-pyrazol-1-yl)propan-1-amine 在 N,N-二异丙基乙胺 作用下， 以 甲醇 为溶剂， 以63%的产率得到(R)-1-(3-((2,2'-dimethyl-3'-(3-((2-(3-methyl-1H-pyrazol-1-yl)ethyl)amino)propoxy)-[1,1'-biphenyl]-3-yl)oxy)propyl)pyrrolidin-3-ol
  参考文献：
  名称：

  [EN] BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS
  [FR] COMPOSÉS BIARYLES UTILES EN TANT QU'IMMUNOMODULATEURS

  摘要：

  本公开涉及通常用作免疫调节剂的化合物。本文提供了包含这些化合物的组合物，以及它们的使用方法。该公开进一步涉及包含至少一种根据本公开的化合物的药物组合物，用于治疗各种疾病，包括癌症和传染病。

  公开号：

  WO2018044963A1
• 作为产物：
  描述：

  3-(3-methyl-1H-pyrazol-1-yl)propanenitrile 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 3.0h， 以36%的产率得到3-(3-methyl-1H-pyrazol-1-yl)propan-1-amine
  参考文献：
  名称：

  Cyanoethylation of pyrazoles under conditions of phase-transfer catalysis and hydrogenation of the cyanoethylation products

  摘要：

  Cyanoethylation of pyrazoles with acrylonitrile was studied under conditions of phase-transfer catalysis. The ease of the process depends on the acidity of pyrazoles. Cyanoethylpyrazoles can be converted into the corresponding aminopropylpyrazoles via reduction of the cyano group. The reduction with lithium tetrahydridoaluminate is accompanied by beta-elimination of the cyanoethyl group.

  DOI：

  10.1134/s1070363206070218

文献信息

• FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF
  申请人：FUJII Nobuhiro

  公开号：US20090227561A1

  公开（公告）日：2009-09-10

  The present invention provides a compound having a superior Smo inhibitory activity and lower toxicity, which is sufficiently satisfactory as a pharmaceutical product. The present invention provides a compound represented by the formula wherein ring A is 5- to 7-membered ring optionally having substituent(s), where substituents are optionally bonded to each other to form a ring; X is O, S or NR 1 (R 1 is a hydrogen atom or a hydrocarbon group optionally having substituent(s)); R 2 is carbamoyl optionally having substituent(s); and R 3 is hydroxy optionally having substituent(s), or a salt thereof.

  本发明提供了一种具有优异的Smo抑制活性和较低毒性的化合物，该化合物作为药物产品是完全令人满意的。本发明提供了一种由下式表示的化合物： 其中，环A是5-至7-成员环，可选择地具有取代基，其中取代基可选择地与彼此结合形成环；X是O、S或NR1（R1是氢原子或具有取代基的碳氢基团）；R2是氨基甲酰，可选择地具有取代基；R3是羟基，可选择地具有取代基，或其盐。
• Compounds useful as immunomodulators
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US10144706B2

  公开（公告）日：2018-12-04

  The present disclosure generally relates to compounds useful as immunomodulators. Provided herein are compounds, compositions comprising such compounds, and methods of their use. The disclosure further pertains to pharmaceutical compositions comprising at least one compound according to the disclosure that are useful for the treatment of various diseases, including cancer and infectious diseases.

  本公开内容一般涉及可用作免疫调节剂的化合物。本文提供了化合物、包含此类化合物的组合物及其使用方法。本公开进一步涉及包含至少一种根据本公开的化合物的药物组合物，这些组合物可用于治疗各种疾病，包括癌症和传染性疾病。
• EP3507284A1
  申请人：——

  公开号：EP3507284A1

  公开（公告）日：2019-07-10
• BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP3507284B1

  公开（公告）日：2022-05-25
• COMPOUNDS USEFUL AS IMMUNOMODULATORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20180057455A1

  公开（公告）日：2018-03-01

  The present disclosure generally relates to compounds useful as immunomodulators. Provided herein are compounds, compositions comprising such compounds, and methods of their use. The disclosure further pertains to pharmaceutical compositions comprising at least one compound according to the disclosure that are useful for the treatment of various diseases, including cancer and infectious diseases.