N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)-2-naphthamide | 882323-88-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)-2-naphthamide
• 英文别名: N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
• CAS: 882323-88-8
• 化学式: C₂₂H₁₅F₃N₂OS
• 分子量: 412.435
• InChiKey: BWGMSQHDBFKYMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  70.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-萘甲酰氯 、 5-(3-(trifluoromethyl)benzyl)thiazol-2-amine 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)-2-naphthamide
  参考文献：
  名称：

  Novel and potent inhibitors of stearoyl-CoA desaturase-1. Part I: Discovery of 3-(2-hydroxyethoxy)-4-methoxy-N-[5-(3-trifluoromethylbenzyl)thiazol-2-yl]benzamide

  摘要：

  A series of structurally novel stearoyl-CoA desaturase-1 (SCD-1) inhibitors has been identified by optimizing a hit from our corporate library. Preliminary structure-activity relationship (SAR) studies led to the discovery of the highly potent and orally bioavailable thiazole-based SCD-1 inhibitor, 3-(2-hydroxyethoxy)-4-methoxy-N-[5-(3-trifluoromethylbenzyl)thiazol-2-yl]benzamide (23a). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.119

文献信息

• Novel and potent inhibitors of stearoyl-CoA desaturase-1. Part I: Discovery of 3-(2-hydroxyethoxy)-4-methoxy-N-[5-(3-trifluoromethylbenzyl)thiazol-2-yl]benzamide
  作者：Yoshikazu Uto、Tsuneaki Ogata、Jun Harada、Yohei Kiyotsuka、Yuko Ueno、Yuriko Miyazawa、Hitoshi Kurata、Tsuneo Deguchi、Nobuaki Watanabe、Toshiyuki Takagi、Satoko Wakimoto、Ryo Okuyama、Manabu Abe、Nobuya Kurikawa、Sayako Kawamura、Michiko Yamato、Jun Osumi

  DOI：10.1016/j.bmcl.2009.05.119

  日期：2009.8

  A series of structurally novel stearoyl-CoA desaturase-1 (SCD-1) inhibitors has been identified by optimizing a hit from our corporate library. Preliminary structure-activity relationship (SAR) studies led to the discovery of the highly potent and orally bioavailable thiazole-based SCD-1 inhibitor, 3-(2-hydroxyethoxy)-4-methoxy-N-[5-(3-trifluoromethylbenzyl)thiazol-2-yl]benzamide (23a). (C) 2009 Elsevier Ltd. All rights reserved.