N-[(4-chloromethylthiazol-2-yl)methyl]acetamide | 878629-48-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-[(4-chloromethylthiazol-2-yl)methyl]acetamide
• 英文别名: N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]acetamide
• CAS: 878629-48-2
• 化学式: C₇H₉ClN₂OS
• 分子量: 204.68
• InChiKey: LFFKGLWRPYHGHU-UHFFFAOYSA-N

物化性质

• 沸点：
  411.0±30.0 °C(Predicted)
• 密度：
  1.319±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  70.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-(2-氨基-2-硫代乙基)乙酰胺 、 1,3-二氯丙酮 在 氯仿 、 碳酸氢钠 、 Brine 、 magnesium sulfate 、 silica gel 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以to give N-[(4-chloromethylthiazol-2-yl)methyl]acetamide (786.6 mg) as light yellow sticky oil的产率得到N-[(4-chloromethylthiazol-2-yl)methyl]acetamide
  参考文献：
  名称：

  Thiazole Derivatives Having Vap-1 Inhibitory Activity

  摘要：

  化合物的结构式（I）：U-V-W-X-Y-Z  （I），其中U为低级烷基；V为—CONH—或—NR1CO—，其中R1为氢或低级烷基；W为键或低级亚烷基；X为源自可选取代噻唑的二价残基；Y为键或低级亚烷基；Z为下式的基团：其中R2为下式的基团：-A-B-D-E-F-G，其中A为键或低级亚烷基；B为键，—NH—或D为键，—CS—或—CO—；E为键或—NH—；F为键，—CO—，—O—或—SO2—；G为低级烷基，可选的保护氨基，—OH，苯基，R3为低级烷基，但当Z为下式的基团时：则G不应为氨基；当Z为下式的基团时：则G不应为；当Z为下式的基团时：若G为可选的保护氨基，则D应为—CS—，或者A应为低级亚烷基，B或E应为—NH—，F应为—CO—；或其药学上可接受的盐，作为血管黏附蛋白-1（VAP-1）抑制剂以及用于预防或治疗VAP-1相关疾病，特别是黄斑水肿的制剂组合物和方法，该方法包括向受体施用化合物或其药学上可接受的盐的有效量等。

  公开号：

  US20080015202A1

文献信息

• [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
• THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY
  申请人：Astellas Pharma Inc.

  公开号：EP1791835A2

  公开（公告）日：2007-06-06
• [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.
• Thiazole Derivatives Having Vap-1 Inhibitory Activity
  申请人：Inoue Takayuki

  公开号：US20080015202A1

  公开（公告）日：2008-01-17

  A compound of the formula (I): U-V-W-X-Y-Z  (I) wherein U is lower alkyl; V is —CONH— or —NR 1 CO— wherein R 1 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: wherein R 2 is a group of the formula: -A-B-D-E-F-G wherein A is a bond or lower alkylene; B is a bond, —NH— or D is a bond, —CS— or —CO—; E is a bond or —NH—; F is a bond, —CO—, —O— or —SO 2 —; and G is lower alkyl, optionally protected amino, —OH, phenyl, R 3 is lower alkyl, provided that when Z is a group of the formula: then G should not be amino, when Z is a group of the formula: then G should not be when Z is a group of the formula: 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.

  化合物的结构式（I）：U-V-W-X-Y-Z  （I），其中U为低级烷基；V为—CONH—或—NR1CO—，其中R1为氢或低级烷基；W为键或低级亚烷基；X为源自可选取代噻唑的二价残基；Y为键或低级亚烷基；Z为下式的基团：其中R2为下式的基团：-A-B-D-E-F-G，其中A为键或低级亚烷基；B为键，—NH—或D为键，—CS—或—CO—；E为键或—NH—；F为键，—CO—，—O—或—SO2—；G为低级烷基，可选的保护氨基，—OH，苯基，R3为低级烷基，但当Z为下式的基团时：则G不应为氨基；当Z为下式的基团时：则G不应为；当Z为下式的基团时：若G为可选的保护氨基，则D应为—CS—，或者A应为低级亚烷基，B或E应为—NH—，F应为—CO—；或其药学上可接受的盐，作为血管黏附蛋白-1（VAP-1）抑制剂以及用于预防或治疗VAP-1相关疾病，特别是黄斑水肿的制剂组合物和方法，该方法包括向受体施用化合物或其药学上可接受的盐的有效量等。