N-[2-[methyl(propan-2-yl)amino]-1,3-benzothiazol-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide | 1174936-28-7

• 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: N-[2-[methyl(propan-2-yl)amino]-1,3-benzothiazol-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
• CAS: 1174936-28-7
• 化学式: C₂₁H₂₂F₃N₃OS
• 分子量: 421.486
• InChiKey: XORBCGNEPZKHBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  73.5
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N2-isopropyl-N2-methyl-benzothiazole-2,6-diamine 、 3-(4-三氟甲基苯基)丙酸 在 吡啶 、 2-氯-1,3-二甲基氯化咪唑啉 作用下， 以 氯仿 为溶剂， 生成 N-[2-[methyl(propan-2-yl)amino]-1,3-benzothiazol-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
  参考文献：
  名称：

  Identification of 2-aminobenzimidazoles as potent melanin-concentrating hormone 1-receptor (MCH1R) antagonists

  摘要：

  A series of 2-aminobenzimidazole-based MCH1R antagonists was identified by core replacement of the aminoquinoline lead 1. Subsequent modi. cation of the 2- and 5-positions led to improvement in potency and intrinsic clearance. Compound 25 exhibited good plasma and brain exposure, and attenuated MCH induced food intake at 30 mg/kg PO in rats. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.147

文献信息

• Identification of 2-aminobenzimidazoles as potent melanin-concentrating hormone 1-receptor (MCH1R) antagonists
  作者：Minoru Moriya、Hiroyuki Kishino、Shunji Sakuraba、Toshihiro Sakamoto、Takuya Suga、Hidekazu Takahashi、Takao Suzuki、Masahiko Ito、Junko Ito、Ryuichi Moriya、Norihiro Takenaga、Hisashi Iwaasa、Akane Ishihara、Akio Kanatani、Takehiro Fukami

  DOI：10.1016/j.bmcl.2009.04.147

  日期：2009.7

  A series of 2-aminobenzimidazole-based MCH1R antagonists was identified by core replacement of the aminoquinoline lead 1. Subsequent modi. cation of the 2- and 5-positions led to improvement in potency and intrinsic clearance. Compound 25 exhibited good plasma and brain exposure, and attenuated MCH induced food intake at 30 mg/kg PO in rats. (C) 2009 Elsevier Ltd. All rights reserved.