2-(2-chloro-5-nitro-phenyl)-5-trifluoromethyl-benzothiazole | 423755-02-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-(2-chloro-5-nitro-phenyl)-5-trifluoromethyl-benzothiazole
• 英文别名: 2-(2-chloro-5-nitrophenyl)-5-(trifluoromethyl)-1,3-benzothiazole
• CAS: 423755-02-6
• 化学式: C₁₄H₆ClF₃N₂O₂S
• 分子量: 358.728
• InChiKey: IKAUSXKZTTUDGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  87
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(2-chloro-5-nitro-phenyl)-5-trifluoromethyl-benzothiazole 在 吡啶 、 铁粉 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 生成 (4-chloro-3-(5-trifluoromethyl-benzothiazol-2-yl)-phenyl)-carbamic acid methyl ester
  参考文献：
  名称：

  Synthesis and SAR of 2-arylbenzoxazoles, benzothiazoles and benzimidazoles as inhibitors of lysophosphatidic acid acyltransferase-β

  摘要：

  2-Arvibenzoxazoles, benzothiazoles and benzimidazoles were identified as new classes of potent, isoform specific inhibitors of lysophosphatidic acid acyltransferase-beta (LPAAT-beta). Effects of selected inhibitors on proliferation of tumor cells in vitro were investigated. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.023
• 作为产物：
  描述：

  2-氯-5-硝基苯甲酸 、 2-氨基-4-(三氟甲基)-苯硫醇 在 PPA 作用下， 生成 2-(2-chloro-5-nitro-phenyl)-5-trifluoromethyl-benzothiazole
  参考文献：
  名称：

  Synthesis and SAR of 2-arylbenzoxazoles, benzothiazoles and benzimidazoles as inhibitors of lysophosphatidic acid acyltransferase-β

  摘要：

  2-Arvibenzoxazoles, benzothiazoles and benzimidazoles were identified as new classes of potent, isoform specific inhibitors of lysophosphatidic acid acyltransferase-beta (LPAAT-beta). Effects of selected inhibitors on proliferation of tumor cells in vitro were investigated. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.023

文献信息

• Benzoxazole LPAAT-B inhibitors and uses thereof
  申请人：CELL THERAPEUTICS, INC.

  公开号：US20020107269A1

  公开（公告）日：2002-08-08

  The invention relates to benzoxazoles and the use thereof to inhibit lysophosphatidic acid acyltransferase &bgr; (LPAAT-&bgr;) activity. The invention further relates to methods of treating cancer using said benzoxazoles. The invention also relates to methods for screening for LPAAT-&bgr; activity.

  该发明涉及苯并噁唑及其用途，用于抑制溶磷脂酸酰基转移酶β（LPAAT-β）活性。该发明还涉及使用所述苯并噁唑治疗癌症的方法。该发明还涉及筛选LPAAT-β活性的方法。
• [EN] BENZOXAZOLE LPAAT- beta INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS BENZOXAZOLES DE LPAAT- DOLLAR G(B) ET UTILISATIONS ASSOCIEES
  申请人：BONHAM LYNN

  公开号：WO2002036580A2

  公开（公告）日：2002-05-10

  The invention relates to benzoxazoles of the following Formula, wherein the variables are defined in the claims and the use thereof to inhibit lysophosphatidic acid acyltransferase β (LPAAT-β) activity. The invention further relates to methods of treating cancer using said benzoxazoles. The invention also relates to methods for screening to LPAAT-β activitiy.
• [EN] BENZOXAZOLE LPAAT- BETA INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS BENZOXAZOLES DE LPAAT- DOLLAR G(B) ET UTILISATIONS ASSOCIEES
  申请人：——

  公开号：WO2002036580A9

  公开（公告）日：2003-02-13

  [EN] The invention relates to benzoxazoles of the following Formula, wherein the variables are defined in the claims and the use thereof to inhibit lysophosphatidic acid acyltransferase beta (LPAAT- beta ) activity. The invention further relates to methods of treating cancer using said benzoxazoles. The invention also relates to methods for screening to LPAAT- beta activitiy.
  [FR] L'invention concerne des benzoxazoles et l'utilisation de ceux-ci dans l'inhibition de l'activité de l'acide lysophosphatidique de l'acyltransférase beta (LPAAT- beta ). L'invention concerne en outre des méthodes de traitement de cancer mettant en oeuvre ces benzoxazoles. L'invention concerne enfin des méthodes de criblage de l'activité de LPAAT- beta .