(R)-N-(4-(4-methyl-4,5-dihydrothiazol-2-ylamino)phenethyl)benzo[d]thiazol-2-amine | 869970-71-8

• 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: (R)-N-(4-(4-methyl-4,5-dihydrothiazol-2-ylamino)phenethyl)benzo[d]thiazol-2-amine
• 英文别名: N-[2-[4-[[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
• CAS: 869970-71-8
• 化学式: C₁₉H₂₀N₄S₂
• 分子量: 368.527
• InChiKey: XCZJQVXYJBJZAN-CYBMUJFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  C.I.酸性橙108 、 (R)-N-(4-(4-methyl-4,5-dihydrothiazol-2-ylamino)phenethyl)benzo[d]thiazol-2-amine 以 二氯甲烷 为溶剂， 生成 N-(4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenethyl)-6-(methylsulfonyl)benzo[d]thiazol-2-amine
  参考文献：
  名称：

  Discovery and SAR of cyclic isothioureas as novel NPY Y1 receptor antagonists

  摘要：

  A class of novel 2-aminobenzothiazoles have been identified as NPY Y-1 antagonists. Various N-heterocyclic substituted aminophenethyl-2-aminobenzothiazole analogs were synthesized to explore the SAR. Isothiourea analogs and ligands with high potency (K-i 30 nM) have been identified. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.048
• 作为产物：
  描述：

  在 三氟乙酸 作用下， 生成 (R)-N-(4-(4-methyl-4,5-dihydrothiazol-2-ylamino)phenethyl)benzo[d]thiazol-2-amine
  参考文献：
  名称：

  Discovery and SAR of cyclic isothioureas as novel NPY Y1 receptor antagonists

  摘要：

  A class of novel 2-aminobenzothiazoles have been identified as NPY Y-1 antagonists. Various N-heterocyclic substituted aminophenethyl-2-aminobenzothiazole analogs were synthesized to explore the SAR. Isothiourea analogs and ligands with high potency (K-i 30 nM) have been identified. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.048

文献信息

• US7459450B2
  申请人：——

  公开号：US7459450B2

  公开（公告）日：2008-12-02
• Discovery and SAR of cyclic isothioureas as novel NPY Y1 receptor antagonists
  作者：Zhong-Yue Sun、Zhaoning Zhu、Yuanzan Ye、Brian McKittrick、Michael Czarniecki、William Greenlee、Deborra Mullins、Mario Guzzi

  DOI：10.1016/j.bmcl.2009.09.048

  日期：2009.12

  A class of novel 2-aminobenzothiazoles have been identified as NPY Y-1 antagonists. Various N-heterocyclic substituted aminophenethyl-2-aminobenzothiazole analogs were synthesized to explore the SAR. Isothiourea analogs and ligands with high potency (K-i 30 nM) have been identified. (C) 2009 Elsevier Ltd. All rights reserved.