(4-(2,3-difluoro-4-(trifluoromethyl)phenyl)-2-((2-(5,7-dimethyl-4,6-dioxo-4,5,6,7-tetrahydroisothiazolo[5,4-d]pyrimidin-3-yl)acetyl)imino)thiazol-3(2H)-yl)methyl dihydrogen phosphate | 1383138-99-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (4-(2,3-difluoro-4-(trifluoromethyl)phenyl)-2-((2-(5,7-dimethyl-4,6-dioxo-4,5,6,7-tetrahydroisothiazolo[5,4-d]pyrimidin-3-yl)acetyl)imino)thiazol-3(2H)-yl)methyl dihydrogen phosphate
• 英文别名: [4-[2,3-Difluoro-4-(trifluoromethyl)phenyl]-2-{[(5,7-dimethyl-4,6-dioxo-4,5,6,7-tetrahydro[1,2]thiazolo[5,4-d]pyrimidin-3-yl)acetyl]imino}-1,3-thiazol-3(2H)-yl]methyl dihydrogen phosphate；[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-2-[2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)acetyl]imino-1,3-thiazol-3-yl]methyl dihydrogen phosphate
• CAS: 1383138-99-5
• 化学式: C₂₀H₁₅F₅N₅O₇PS₂
• 分子量: 627.466
• InChiKey: KDFCXTQMANKAPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  207
• 氢给体数：
  2
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  磷酸肌酸 、 N-{4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}-2-(5,7-dimethyl-4,6-dioxo-4,5,6,7-tetrahydro[1,2]thiazolo[5,4-d]pyrimidin-3-yl)acetamide 、 sodium t-butanolate 以 四氢呋喃 、 正己烷 为溶剂， 以to yield 2.00 g of product as an off-white solid的产率得到
  参考文献：
  名称：

  2-amino-4-arylthiazole compounds as TRPA1 antagonists

  摘要：

  本发明涉及2-氨基-4-芳基噻唑衍生物作为TRPA（瞬时受体电位亚家族A）调节剂。特别地，本文所描述的化合物对于治疗或预防由TRPA1（瞬时受体电位亚家族A，成员1）调节的疾病、状况和/或紊乱是有用的。本文还提供了制备所述化合物的过程，用于其合成的中间体，其制药组合物以及治疗或预防由TRPA1调节的疾病、状况和/或紊乱的方法。

  公开号：

  US08592398B2

文献信息

• 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS
  申请人：Kumar Sukeerthi

  公开号：US20120157411A1

  公开（公告）日：2012-06-21

  The present invention is related to 2-amino-4-arylthiazole derivatives as TRPA (Transient Receptor Potential subfamily A) modulators. In particular, compounds described herein are useful for treating or preventing diseases, conditions and/or disorders modulated by TRPA1 (Transient Receptor Potential subfamily A, member 1). Also provided herein are processes for preparing compounds described herein, intermediates used in their synthesis, pharmaceutical compositions thereof, and methods for treating or preventing diseases, conditions and/or disorders modulated by TRPA1.

  本发明涉及2-氨基-4-芳基噻唑衍生物作为TRPA（瞬时受体电位亚家族A）调节剂。特别地，本文所描述的化合物对于治疗或预防由TRPA1（瞬时受体电位亚家族A，成员1）调节的疾病、症状和/或紊乱是有用的。此外，本文还提供了制备所述化合物的方法、用于合成的中间体、其制药组合物以及治疗或预防由TRPA1调节的疾病、症状和/或紊乱的方法。
• 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS
  申请人：Glenmark Pharmaceuticals, S.A.

  公开号：US20140051667A1

  公开（公告）日：2014-02-20

  The present invention is related to 2-amino-4-arylthiazole derivatives as TRPA (Transient Receptor Potential subfamily A) modulators. In particular, compounds described herein are useful for treating or preventing diseases, conditions and/or disorders modulated by TRPA1 (Transient Receptor Potential subfamily A, member 1). Also provided herein are processes for preparing compounds described herein, intermediates used in their synthesis, pharmaceutical compositions thereof, and methods for treating or preventing diseases, conditions and/or disorders modulated by TRPA1.

  本发明涉及2-氨基-4-芳基噻唑衍生物作为TRPA（瞬时受体电位亚家族A）调节剂。特别地，本文所描述的化合物可用于治疗或预防由TRPA1（瞬时受体电位亚家族A，成员1）调节的疾病、病况和/或疾患。本文还提供了制备所述化合物的过程、用于其合成的中间体、其制药组合物以及治疗或预防由TRPA1调节的疾病、病况和/或疾患的方法。