N-(4-{2-[4-(2-thioureidoethyl)phenyl]ethyl}thiazol-2-yl)acetamide | 874901-35-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(4-{2-[4-(2-thioureidoethyl)phenyl]ethyl}thiazol-2-yl)acetamide
• 英文别名: N-{4-[2-(4-{2-[(aminocarbonothioyl)amino]ethyl}phenyl)ethyl]-1,3-thiazol-2-yl}acetamide；N-[4-[2-[4-[2-(carbamothioylamino)ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
• CAS: 874901-35-6
• 化学式: C₁₆H₂₀N₄OS₂
• 分子量: 348.493
• InChiKey: GWPPDGBJVUYULN-UHFFFAOYSA-N

物化性质

• 密度：
  1.312±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  140
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-溴-1,1-二甲氧基乙烷 、 N-(4-{2-[4-(2-thioureidoethyl)phenyl]ethyl}thiazol-2-yl)acetamide 以 异丙醇 为溶剂， 反应 24.0h， 生成 N-[4-(2-{4-[2-(thiazol-2-ylamino)ethyl]phenyl}ethyl)-thiazol-2-yl]acetamide
  参考文献：
  名称：

  [EN] THIAZOLE DERIVATIVES HAVING VAP-1 IHIBITORY ACTIVITY
  [FR] DERIVES DU THIAZOLE PRESENTANT UNE ACTIVITE INHIBITRICE DE LA PROTEINE 1 D'ADHESION VASCULAIRE

  摘要：

  公开号：

  WO2006028269A3
• 作为产物：
  描述：

  N-({[2-(4-{2-[2-(acetylamino)-1,3-thiazol-4-yl]ethyl}phenyl)ethyl]amino}carbonothioyl)benzamide 在 sodium hydroxide 、 乙醇 、 水 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 生成 N-(4-{2-[4-(2-thioureidoethyl)phenyl]ethyl}thiazol-2-yl)acetamide
  参考文献：
  名称：

  [EN] THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY
  [FR] DERIVES DE THIAZOLE PRESENTANT UNE ACTIVITE D'INHIBITION DE LA VAP-1

  摘要：

  公开号：

  WO2006011631A3

文献信息

• Thiazole Derivatives Having Vap-1 Inhibitory Activity
  申请人：Inoue Takayuki

  公开号：US20070254931A1

  公开（公告）日：2007-11-01

  A compound of the formula (I), (II), (III) or (IV): wherein each symbol is as defined in the specification, or a pharmaceutically acceptable salt thereof useful as a vascular adhesion protein-1 (VAP-1) inhibitor, a pharmaceutical composition, a method for preventing or treating a VAP-1 associated disease, especially macular edema, which method includes administering an effective amount of the compound or a pharmaceutically acceptable salt thereof to a subject, and the like.

  公式（I），（II），（III）或（IV）的化合物：其中每个符号如规范中所定义，或其药学上可接受的盐，可用作血管黏附蛋白-1（VAP-1）抑制剂，制药组合物，预防或治疗VAP-1相关疾病，特别是黄斑水肿的方法，该方法包括向受试者投予化合物或其药学上可接受的盐的有效量等。
• THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY
  申请人：Astellas Pharma Inc.

  公开号：EP1786792B1

  公开（公告）日：2009-04-08
• [EN] THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY<br/>[FR] DERIVES DU THIAZOLE PRESENTANT UNE ACTIVITE INHIBITRICE DE LA PROTEINE 1 D'ADHESION VASCULAIRE
  申请人：ASTELLAS PHARMA INC

  公开号：WO2006028269A2

  公开（公告）日：2006-03-16

  A compound of the formula (I): U-V-W-X-Y-Z (I) wherein U is lower alkyl; V is -CONH- or -NR1CO- wherein R1 is a hydrogen or lower alkyl; W is a bond or lower alkylene; X is a bivalent residue derived from optionally substituted thiazole; Y is a bond or lower alkylene; and Z is a group of the formula: (a) wherein R2 is a group of the formula: -A-B-D-E-F-G wherein A is a bond or lower alkylene; B is a bond, (b); D is a bond, -CS- or -CO-; E is a bond or -NH-; F is a bond, -CO-, -O- or -SO2-; and G is lower alkyl, optionally protected amino, -OH, phenyl, (c); and R3 is lower alkyl, provided that when Z is a group of the formula: (d), then G should not be amino, when Z is a group of the formula: (e), then G should not be (f), when Z is a group of the formula: (g) and G is optionally protected amino, then D should be -CS-, or then A should be lower alkylene, B or E should be -NH- and F should be -CO-; or a pharmaceutically acceptable salt thereof useful as a vascular adhesion protein-1 (VAP-1) inhibitor as well as a pharmaceutical composition and a method for preventing or treating a VAP-1 associated disease, especially macular edema, which method includes administering an effective amount of the compound or a pharmaceutically acceptable salt thereof to a subject, and the like.
• [EN] THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY<br/>[FR] DERIVES DE THIAZOLE PRESENTANT UNE ACTIVITE D'INHIBITION DE LA VAP-1
  申请人：ASTELLAS PHARMA INC

  公开号：WO2006011631A3

  公开（公告）日：2006-04-20
• [EN] THIAZOLE DERIVATIVES HAVING VAP-1 IHIBITORY ACTIVITY<br/>[FR] DERIVES DU THIAZOLE PRESENTANT UNE ACTIVITE INHIBITRICE DE LA PROTEINE 1 D'ADHESION VASCULAIRE
  申请人：ASTELLAS PHARMA INC

  公开号：WO2006028269A3

  公开（公告）日：2006-06-29