N-[(6-Amino-2-methyl(3-pyridyl))methyl]-2-{3-[(2,2-difluoro-2-phenylethyl) amino]-6-chloro-2-fluorophenyl}acetamide hydrochloride salt | 409081-54-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[(6-Amino-2-methyl(3-pyridyl))methyl]-2-{3-[(2,2-difluoro-2-phenylethyl) amino]-6-chloro-2-fluorophenyl}acetamide hydrochloride salt
• 英文别名: N-[(6-Amino-2-methyl(3-pyridyl))methyl]-2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-chloro-2-fluorophenyl}acetamide Hydrochloride Salt；N-[(6-amino-2-methylpyridin-3-yl)methyl]-2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide;hydrochloride
• CAS: 409081-54-5
• 化学式: C₂₃H₂₂ClF₃N₄O*ClH
• 分子量: 499.363
• InChiKey: OJZWKUKAVMNLDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.25
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  80
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-{3-[(2,2-Difluoro-2-phenylethyl)amino]-6-chloro-2-fluorophenyl}-N-({6-[(tert-butoxy)carbonylamino]-2-methyl(3-pyridyl)}methyl) acetamide 在 盐酸 作用下， 以 1,4-二氧六环 、 甲醇 、 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran 为溶剂， 以91%的产率得到N-[(6-Amino-2-methyl(3-pyridyl))methyl]-2-{3-[(2,2-difluoro-2-phenylethyl) amino]-6-chloro-2-fluorophenyl}acetamide hydrochloride salt
  参考文献：
  名称：

  Aminopyridinyl-, aminoguanidinyl- and Alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors

  摘要：

  苯乙酰胺化合物的描述，包括式I的化合物： 或其溶剂化物、水合物或药学上可接受的盐；其中R 3 -R 6 ，R 11 ，B，Y和W在规范中列出。本发明的化合物是蛋白酶的强效抑制剂，特别是类似胰蛋白酶的丝氨酸蛋白酶，如凝血酶和Xa因子。描述了用于抑制血小板丢失、抑制血小板聚集物形成、抑制纤维蛋白形成、抑制血栓形成和抑制栓塞形成的组合物。本发明化合物的其他用途是作为抗凝剂，嵌入或物理连接到用于制造用于血液采集、血液循环和血液储存的设备中的材料，如导管、血液透析机、血液采集注射器和管、血管和支架。此外，这些化合物可以被检测标记并用于体内血栓的成像。

  公开号：

  US20020061872A1

文献信息

• Aminopyridyl-substituted phenyl acetamides as protease inhibitors
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US20030073833A1

  公开（公告）日：2003-04-17

  Phenyl acetamide compounds are described, including compounds of Formula I: 1 or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein R 3 -R 6 , R 11 , B, Y and W are set forth in the specification. The compounds of the invention are potent inhibitors of proteases, especially trypsin-like serine proteases, such as thrombin and factor Xa. Compositions for inhibiting loss of blood platelets, inhibiting formation of blood platelet aggregates, inhibiting formation of fibrin, inhibiting thrombus formation, and inhibiting embolus formation are described. Other uses of compounds of the invention are as anticoagulants either embedded in or physically linked to materials used in the manufacture of devices used in blood collection, blood circulation, and blood storage, such as catheters, blood dialysis machines, blood collection syringes and tubes, blood lines and stents. Additionally, the compounds can be detectably labeled and employed for in vivo imaging of thrombi.

  描述了苯乙酰胺化合物，包括公式I的化合物：1或其溶剂化物、水合物或药学上可接受的盐；其中R3-R6、R11、B、Y和W在规范中列出。本发明的化合物是蛋白酶的有效抑制剂，特别是类似胰蛋白酶的丝氨酸蛋白酶，如凝血酶和第Xa因子。描述了抑制血小板丢失、抑制血小板聚集形成、抑制纤维蛋白形成、抑制血栓形成和抑制栓塞形成的组合物。本发明化合物的其他用途是作为抗凝剂嵌入或物理连接到用于血液采集、血液循环和血液储存的器械的制造材料中，例如导管、血液透析机、血液采集注射器和管道、血液管路和支架。此外，这些化合物可以被标记并用于体内血栓的成像。
• Aminopyridinyl-, aminoguanidinyl- and alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors
  申请人：Pan Wenxi

  公开号：US20050159457A1

  公开（公告）日：2005-07-21

  Phenyl acetamide compounds are described, including compounds of Formula I: or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein R 3 -R 6 , R 11 , B, Y and W are set forth in the specification. The compounds of the invention are potent inhibitors of proteases, especially trypsin-like serine proteases, such as thrombin and factor Xa. Compositions for inhibiting loss of blood platelets, inhibiting formation of blood platelet aggregates, inhibiting formation of fibrin, inhibiting thrombus formation, and inhibiting embolus formation are described. Other uses of compounds of the invention are as anticoagulants either embedded in or physically linked to materials used in the manufacture of devices used in blood collection, blood circulation, and blood storage, such as catheters, blood dialysis machines, blood collection syringes and tubes, blood lines and stents. Additionally, the compounds can be detectably labeled and employed for in vivo imaging of thrombi.

  本文描述了苯乙酰胺化合物，包括式I的化合物：或其溶剂化物、水合物或药学上可接受的盐；其中R3-R6、R11、B、Y和W在说明书中列出。该发明的化合物是蛋白酶的强效抑制剂，特别是类似胰蛋白酶的丝氨酸蛋白酶，如凝血酶和Xa因子。描述了用于抑制血小板丢失、抑制血小板聚集形成、抑制纤维蛋白形成、抑制血栓形成和抑制栓子形成的组合物。本发明化合物的其他用途是作为抗凝剂嵌入或物理连接到用于血液收集、血液循环和血液储存的器械制造中使用的材料中，例如导管、血液透析机、血液采集注射器和管道、血液管路和支架。此外，这些化合物可以被标记并用于体内血栓的成像。
• Aminoguanidinyl- and Alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US06521663B2

  公开（公告）日：2003-02-18

  Phenyl acetamide compounds are described, including compounds of Formula I: or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein R3-R6, R11, B, Y and W are set forth in the specification. The compounds of the invention are potent inhibitors of proteases, especially trypsin-like serine proteases, such as thrombin and factor Xa. Compositions for inhibiting loss of blood platelets, inhibiting formation of blood platelet aggregates, inhibiting formation of fibrin, inhibiting thrombus formation, and inhibiting embolus formation are described. Other uses of compounds of the invention are as anticoagulants either embedded in or physically linked to materials used in the manufacture of devices used in blood collection, blood circulation, and blood storage, such as catheters, blood dialysis machines, blood collection syringes and tubes, blood lines and stents. Additionally, the compounds can be detectably labeled and employed for in vivo imaging of thrombi.

  本文描述了苯乙酰胺化合物，包括式I的化合物：或其溶剂化物，水合物或药学上可接受的盐；其中R3-R6，R11，B，Y和W在说明书中列出。该发明的化合物是蛋白酶的强效抑制剂，特别是类似胰蛋白酶的丝氨酸蛋白酶，如凝血酶和Xa因子。本文还描述了用于抑制血小板丢失，抑制血小板聚集形成，抑制纤维蛋白形成，抑制血栓形成和抑制栓子形成的组合物。发明的化合物的其他用途是作为抗凝剂嵌入或物理连接到用于血液采集，血液循环和血液储存的设备中使用的材料中，例如导管，血液透析机，血液采集注射器和管道，血液管路和支架。此外，该化合物可以被标记并用于体内血栓的成像。
• AMINOPYRIDINYL-, AMINOGUANIDINYL- AND ALKOXYGUANIDINYL- SUBSTITUTED PHENYL ACETAMIDES AS PROTEASE INHIBITORS
  申请人：3-DIMENSIONAL PHARMACEUTICALS, INC.

  公开号：EP1324981A2

  公开（公告）日：2003-07-09
• US6521663B2
  申请人：——

  公开号：US6521663B2

  公开（公告）日：2003-02-18