[3-(1H-1,2,4-噻唑-1-基)苯基]甲醇 | 868755-55-9

• 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-1,2,4-噻唑-1-基)苯基]甲醇
• 英文名称: [3-(1H-1,2,4-Triazol-1-yl)phenyl]methanol
• 英文别名: [3-(1,2,4-triazol-1-yl)phenyl]methanol
• CAS: 868755-55-9
• 化学式: C₉H₉N₃O
• mdl: MFCD08271897
• 分子量: 175.19
• InChiKey: KUSZGGXHHOYFHS-UHFFFAOYSA-N

物化性质

• 熔点：
  69 °C
• 沸点：
  400.0±44.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  50.9
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• [EN] TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE<br/>[FR] INHIBITEURS, À BASE DE TRIAZOLOPYRIDINE, DE LA MYÉLOPEROXYDASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2017040449A1

  公开（公告）日：2017-03-09

  The present invention provides compounds of Formula (I): wherein A is as defined in the specification, and compositions comprising any of such novel compounds. These compounds are myeloperoxidase (MPO) inhibitors and/or eosinophil peroxidase (EPX) inhibitors, which may be used as medicaments.

  本发明提供了化合物的结构式（I）：其中A如规范中定义，并包括任何此类新化合物的组合物。这些化合物是髓过氧化物酶（MPO）抑制剂和/或嗜酸性粒细胞过氧化物酶（EPX）抑制剂，可用作药物。
• [EN] TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE<br/>[FR] INHIBITEURS DE TRIAZOLOPYRIDINE DE LA MYÉLOPEROXYDASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2017040450A1

  公开（公告）日：2017-03-09

  The present invention provides compounds of Formula (I): wherein A, Y and R1 are each as defined in the specification, and compositions comprising any of such novel compounds. These compounds are myeloperoxidase (MPO) inhibitors and/or eosinophil peroxidase (EPX) inhibitors, which may be used as medicaments.

  本发明提供了式（I）的化合物：其中A、Y和R1如规范中所定义，并包括任何此类新化合物的组合物。这些化合物是髓过氧化物酶（MPO）抑制剂和/或嗜酸性粒细胞过氧化物酶（EPX）抑制剂，可用作药物。
• New 1,2,4-triazole derivatives, a process for their manufacture and pharmaceutical compositions containing them
  申请人：GRUPPO LEPETIT S.P.A.

  公开号：EP0011129A1

  公开（公告）日：1980-05-28

  Novel 1,2,4-triazole derivatives are described having the following formula wherein R represents hydrogen or methyl, R, stands for hydrogen or (C1-C4)alkyl, or R and R, taken together may represent a further bond between the carbon atom and the oxygen atom, R2 and R4, each independently, represent hydrogen, chloro, fluoro, bromo, (C1-C4)alkyl or (C1-C4)alkoxy, R3 stands for (C1-C4)alkyl, (C1-C4)alkoxy, allyloxy, propargyloxy, trifluoromethyl, phenyl, chloro, fluoro, bromo or dimethylamino or R3 and R4 taken together may represent a methytenedioxy group. Also described is a process for their manufacture. Use of , the novel compounds as antireproductive agents and pharmaceutical compositions containing them as active ingredient are also claimed.

  所述新型 1，2，4-三唑衍生物具有下式 其中R代表氢或甲基，R代表氢或(C1-C4)烷基，或R和R合在一起可代表碳原子和氧原子之间的进一步键，R2和R4各自独立地代表氢、氯、氟、溴、(C1-C4)烷基或(C1-C4)烷氧基，R3代表(C1-C4)烷基、R3代表(C1-C4)烷基、(C1-C4)烷氧基、烯丙基氧基、丙基氧基、三氟甲基、苯基、氯代、氟代、溴代或二甲基氨基，或 R3 和 R4 合在一起可代表甲基tenedioxy 基团。 此外，还描述了其制造工艺。本发明还要求将这些新型化合物用作抗生殖剂和含有它们作为活性成分的药物组合物。
• Triazolopyridine inhibitors of myeloperoxidase
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US10316035B2

  公开（公告）日：2019-06-11

  The present invention provides compounds of Formula (I): wherein A, Y and R1 are each as defined in the specification, and compositions comprising any of such novel compounds. These compounds are myeloperoxidase (MPO) inhibitors and/or eosinophil peroxidase (EPX) inhibitors, which may be used as medicaments.

  本发明提供了式(I)化合物：其中A、Y和R1各自如说明书中所定义，以及包含任何此类新型化合物的组合物。这些化合物是髓过氧化物酶（MPO）抑制剂和/或嗜酸性粒细胞过氧化物酶（EPX）抑制剂，可用作药物。
• TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20180244671A1

  公开（公告）日：2018-08-30

  The present invention provides compounds of Formula (I): wherein A, Y and R 1 are each as defined in the specification, and compositions comprising any of such novel compounds. These compounds are myeloperoxidase (MPO) inhibitors and/or eosinophil peroxidase (EPX) inhibitors, which may be used as medicaments.