N-(4-fluoro-phenyl)-2-(2-methoxy-5-morpholin-4-yl-phenylamino)-2-thioxo-acetamide | 538327-34-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: N-(4-fluoro-phenyl)-2-(2-methoxy-5-morpholin-4-yl-phenylamino)-2-thioxo-acetamide
• 英文别名: N-(4-fluorophenyl)-2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide
• CAS: 538327-34-3
• 化学式: C₁₉H₂₀FN₃O₃S
• 分子量: 389.451
• InChiKey: CTSJTJWWBYEKAB-UHFFFAOYSA-N

物化性质

• 密度：
  1.376±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  94.9
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(4-fluoro-phenyl)-2-(2-methoxy-5-morpholin-4-yl-phenylamino)-2-thioxo-acetamide 在 potassium hexacyanoferrate(III) 作用下， 以 sodium hydroxide 、 水 为溶剂， 生成 4-methoxy-7-morpholin-4-yl-benzothiazole-2-carboxylic acid (4-fluoro-phenyl)-amide 、 正己烷
  参考文献：
  名称：

  7-Morpholin-4yl-benzothiazole amide derivatives

  摘要：

  公式为I的化合物对A2A受体具有良好的亲和力，可用于治疗由该受体介导的疾病。

  公开号：

  US06596718B1

文献信息

• BENZOTHIAZOLE DERIVATIVES
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1450796A1

  公开（公告）日：2004-09-01
• US6596718B1
  申请人：——

  公开号：US6596718B1

  公开（公告）日：2003-07-22
• [EN] BENZOTHIAZOLE DERIVATIVES<br/>[FR] DERIVES DE BENZOTHIAZOLE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2003045385A1

  公开（公告）日：2003-06-05

  The invention relates to compounds of the general formula (I) wherein, R is hydrogen, -(CH2)n-phenyl, optionally substituted by halogen, lower alkyl, lower alkoxy, trifluoromethyl or -N(R')-C(O)-lower alkyl, -(CH2)n-pyridinyl, optionally substituted by lower alkyl, -(CH2)n-C3-6-cycloalkyl, optionally substituted by hydroxy, -(CH2)n-N(R')-C3-6-cycloalkyl, -(CH2)n-benzo[1,3]-dioxolyl, -(CR'2)n-thiophenyl, optionally substituted by lower alkyl, -(CR'2)n-thiazolyl, optionally substituted by lower alkyl, -(CH2)n-C(O)-thiophenyl, optionally substituted by halogen, -(CH2)n-furanyl, optionally substituted by lower alkyl, -(CH2)n-C(O)-(CH2)n-thiophenyl, -(CHR')n-benzofuran-2-yl, -(CH2)n-benzo[b]thiophenyl, optionally substituted by lower alkyl, -(CH2)n-N(R')-C(O)-phenyl, optionally substituted by halogen or lower alkoxy, -(CH2)n-C(O)-phenyl, optionally substituted by lower alkoxy, -(CH2)n-C(O)-2,3-dihydro-benzo [1,4]dioxin-6-yl, -(CH2)n-N(R')-C(O)-pyridinyl, -(CH2)n-tetrahydrofuranyl, -CH-bi-phenyl, -CH(phenyl)-pyridinyl, -(CH2)n-1-oxo-1,3-dihydro-isoindol-2-yl, -(CH2)n-1,3-dioxo-1,3-dihydro-isoindol-2-yl, -(CH2)n-CH(phenyl)-tetrahydropyranyl, -(CH2)n-1-oxo-1,2,3,4-tetrahydro-isoquinolin-3-yl or (CH2)n-S-[1,3,4]thiazol-2-yl, optionally substituted by amino; R' is hydrogen or lower alkyl, independently from each other in case R'2; and n is 0, 1, 2, 3 or 4; and pharmaceutically acceptable acid addition salts thereof. The compounds of formula I have a good affinity to the A2A receptor and they are therefore useful for the treatment of diseases, related to this receptor.