1-(Benzylamino)pyrazole | 137968-21-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(Benzylamino)pyrazole
• 英文别名: N-benzylpyrazol-1-amine
• CAS: 137968-21-9
• 化学式: C₁₀H₁₁N₃
• 分子量: 173.217
• InChiKey: WXMROOPZYOJQRB-UHFFFAOYSA-N

物化性质

• 沸点：
  318.6±35.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  29.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(Benzylamino)pyrazole 在 氢溴酸 作用下， 以28%的产率得到Bis(5-amino-1-benzyl-4-pyrazolyl)phenylmethane
  参考文献：
  名称：

  Rearrangement of N-(alkylamino)azoles in acid media: a new entry to C-amino-N-substituted azoles

  摘要：

  A ring-opening/ring-closure mechanism for the thermal rearrangement of 1-(alkylamino)pyrazoles into 5-amino-1-alkylpyrazoles in acid medium has been established. 1-(Benzylamino)pyrazoles show a different reactivity, affording bis(5-amino-1-benzyl-4-pyrazolyl)phenylmethanes. The reaction was extended to 1-(alkylamino)indazoles but failed in the case of 1-(alkylamino)-1,2,4-triazoles.

  DOI：

  10.1021/jo00031a042
• 作为产物：
  描述：

  1-benzylideneaminopyrazole 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 以82%的产率得到1-(Benzylamino)pyrazole
  参考文献：
  名称：

  Rearrangement of N-(alkylamino)azoles in acid media: a new entry to C-amino-N-substituted azoles

  摘要：

  A ring-opening/ring-closure mechanism for the thermal rearrangement of 1-(alkylamino)pyrazoles into 5-amino-1-alkylpyrazoles in acid medium has been established. 1-(Benzylamino)pyrazoles show a different reactivity, affording bis(5-amino-1-benzyl-4-pyrazolyl)phenylmethanes. The reaction was extended to 1-(alkylamino)indazoles but failed in the case of 1-(alkylamino)-1,2,4-triazoles.

  DOI：

  10.1021/jo00031a042

文献信息

• [EN] PYRAZOLEPYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES<br/>[FR] NOUVEAUX COMPOSÉS UTILES POUR LE TRAITEMENT DE MALADIES DÉGÉNÉRATIVES ET INFLAMMATOIRES
  申请人：GALAPAGOS NV

  公开号：WO2009071706A1

  公开（公告）日：2009-06-11

  The present invention relates to compounds that are inhibitors of PDElA, a phosphodiesterase that is involved in the modulation of the degradation of cartilage, joint degeneration and diseases involving such degradation and/or inflammation, and particularly, to a compound according to formula I: or a pharmaceutically acceptable salt, hydrate, solvate or prodrug thereof or isotopic variants thereof, stereoisomers or tautomers thereof. The invention extends to compositions, including pharmaceutical compositions, and corresponding uses thereof, and methods of prophylaxis and treatment involving the same.

  本发明涉及一种抑制PDElA的化合物，PDElA是参与调节软骨降解、关节退化以及涉及此类降解和/或炎症的疾病的磷酸二酯酶，特别是根据式I的化合物：或其药学上可接受的盐、水合物、溶剂合物或前药，或其同位素变体、立体异构体或互变异构体。本发明还涉及包括药物组合物在内的组合物，以及其相应的用途和涉及相同的预防和治疗方法。
• Muscarinic M1 receptor positive allosteric modulators
  申请人：SUVEN LIFE SCIENCES LIMITED

  公开号：US10308620B2

  公开（公告）日：2019-06-04

  The present invention relates to compound of formula (I), or stereoisomers and pharmaceutically acceptable salts as muscarinic M1 receptor positive allosteric modulators. This invention also relates to methods of preparing such compounds and pharmaceutical compositions comprising such compounds. The compounds of this invention are useful in the treatment of various disorders that are related to muscarinic M1 receptor.

  本发明涉及作为毒蕈碱 M1 受体正异位调节剂的式 (I) 化合物或立体异构体和药学上可接受的盐。本发明还涉及制备此类化合物的方法和包含此类化合物的药物组合物。本发明的化合物可用于治疗与毒蕈碱 M1 受体有关的各种疾病。
• The structure of N-(azol-N-yl) formamides: a crystallographic and dynamic NMR spectroscopy study
  作者：Loreto Salazar、Modesta Espada、Dionisia Sanz、Rosa Ma Claramunt、José Elguero、Santiago García-Granda、Ma Rosario Díaz、Fermín Gómez-Beltrán

  DOI：10.1039/p29930000377

  日期：——

  The molecular structures of N-(pyrazol-1-yl)formamide 1 [C4H5N3O, orthorhombic, space group P2(1)2(1)2(1), a = 5.269(8), b = 8.039(8), c = 12.79(2), Z = 4] and N-(indazol-1-yl)formamide 5 [C8H7N3O, monoclinic, space group P2(1)/c, a = 9.065(2), b = 11.089(7), c = 8.463(7), Z = 4] have been solved by X-ray crystallography. Regarding the amide bond, both compounds exist in the Z configuration, a configuration which also prevails in solution for all theN-H azolyl formamides whilst the N-substituted derivatives prefer the E configuration. The rotation barriers about the amide bond are similar although a little lower than those of N-phenylformamide and N-methyl-N-phenylformamide, a fact that may be related to the electronic properties of the N-azolyl substituent.
• Nickelkomplexfarbstoffe
  申请人：BASF Aktiengesellschaft

  公开号：EP0036100B1

  公开（公告）日：1983-06-15
• MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  申请人：SUVEN LIFE SCIENCES LIMITED

  公开号：US20180155302A1

  公开（公告）日：2018-06-07

  The present invention relates to compound of formula (I), or stereoisomers and pharmaceutically acceptable salts as muscarinic M1 receptor positive allosteric modulators. This invention also relates to methods of preparing such compounds and pharmaceutical compositions comprising such compounds. The compounds of this invention are useful in the treatment of various disorders that are related to muscarinic M1 receptor.