N-[4-(1-acetimidoylpiperidin-4-yloxy)-3-chlorophenyl]-N-[3-(3-amidinophenyl)-2-(E)-propenyl]sulfamoyl acetic acid | 337529-47-2

• 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-[4-(1-acetimidoylpiperidin-4-yloxy)-3-chlorophenyl]-N-[3-(3-amidinophenyl)-2-(E)-propenyl]sulfamoyl acetic acid
• 英文别名: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloro-4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl]acetic acid
• CAS: 337529-47-2
• 化学式: C₂₅H₃₀ClN₅O₅S
• 分子量: 548.063
• InChiKey: ZDATVSAIHUSHQZ-GSPWVSOXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  37
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  169
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• [EN] SYSTEM AND METHOD FOR TRANSDERMAL DELIVERY OF AN ANTICOAGULANT<br/>[FR] PROCEDE ET SYSTEME D'ADMINISTRATION D'ANTICOAGULANT PAR VOIE TRANSDERMIQUE
  申请人：ALZA CORP

  公开号：WO2005120482A1

  公开（公告）日：2005-12-22

  A device for transdermally delivering an anticoagulant agent by electrotransport. Preferably, the anticoagulant comprises a benzamidine or a naphthamidine derivative. A particularly preferred benzamidine derivative is a 2­-[3-[4-(4-piperidinyloxy) anilino]-1-propenyl]benzamidine derivative. The devices are configured to maintain a plasma concentration of 20-80 ng/mL or providing a flux in the range of approximately 20 - 40 mg/day. Suitable current densities include 0.050 and 0.10 mA/cm2. Methods of the invention include delivering the anticoagulants to precisely maintain the desired plasma concentrations. The invention also comprises treating thromboembolic disease and inhibiting Factor Xa.

  一种用电转运途径经皮递送抗凝剂的装置。最好的抗凝剂包括苯胺或萘胺衍生物。特别优选的苯胺衍生物是2-[3-[4-(4-哌啶氧基)苯氨基]-1-丙烯基]苯胺衍生物。这些装置被配置为维持20-80 ng/mL的血浆浓度或提供约20-40 mg/天的通量。适当的电流密度包括0.050和0.10 mA/cm2。本发明的方法包括传递抗凝剂以精确维持所需的血浆浓度。本发明还包括治疗血栓栓塞性疾病和抑制第Xa因子。
• Benzamidine derivatives
  申请人：SANKYO COMPANY, LIMITED

  公开号：US20040248981A1

  公开（公告）日：2004-12-09

  Benzamidine derivatives of formula (I) or pharmaceutically acceptable salts thereof exhibit excellent inhibitory activity against factor Xa and are useful for treating or preventing blood coagulation disorders: 1 wherein R 1 represents a hydrogen atom, a halogen atom, an alkyl group or a hydroxyl group; R 2 represents a hydrogen atom, a halogen atom or an alkyl group, R 3 represents a hydrogen atom, an optionally substituted alkyl group, an aralkyl group, an optionally substituted alkanoyl group or an optionally substituted alkylsulfonyl group, R 4 and R 5 are the same as or different from each other and each represent a hydrogen atom, a halogen atom, an optionally substituted alkyl group, an alkoxy group, a carboxyl-group, an alkoxycarbonyl group or an optionally substituted carbamoyl group, and R 6 represents a substituted pyrrolidine group or substituted piperidine group.

  公式（I）中的苯甲酰胺衍生物或其药学上可接受的盐表现出优异的抑制因子Xa的活性，可用于治疗或预防血液凝固障碍：其中R1代表氢原子，卤原子，烷基或羟基；R2代表氢原子，卤原子或烷基，R3代表氢原子，可选取代的烷基，芳基烷基，可选取代的烷酰基或可选取代的烷基磺酰基，R4和R5相同或不同，每个代表氢原子，卤原子，可选取代的烷基，烷氧基，羧基，烷氧羰基或可选取代的氨基甲酰基，而R6代表取代的吡咯烷基或取代的哌嗪烷基。
• System and method for transdermal delivery of an anticoagulant
  申请人：Takhar Sudeep

  公开号：US20050273047A1

  公开（公告）日：2005-12-08

  A device for transdermally delivering an anticoagulant agent by electrotransport. Preferably, the anticoagulant comprises a benzamidine or a naphthamidine derivative. A particularly preferred benzamidine derivative is a 2-[3-[4-(4-piperidinyloxy)anilino]-1-propenyl]benzamidine derivative. The devices are configured to maintain a plasma concentration of 20-80 ng/mL or providing a flux in the range of approximately 20-40 mg/day. Suitable current densities include 0.050 and 0.10 mA/cm 2 . Methods of the invention include delivering the anticoagulants to precisely maintain the desired plasma concentrations. The invention also comprises treating thromboembolic disease and inhibiting Factor Xa.

  一种通过电传输经皮输送抗凝剂的装置。抗凝剂最好包括联苯胺或萘甲脒衍生物。特别优选的联苯胺衍生物是 2-[3-[4-（4-哌啶基氧基）苯胺基]-1-丙烯基]联苯胺衍生物。该装置的配置可维持 20-80 纳克/毫升的血浆浓度，或提供约 20-40 毫克/天的通量。合适的电流密度包括 0.050 和 0.10 mA/cm 2 .本发明的方法包括输送抗凝剂，以精确维持所需的血浆浓度。本发明还包括治疗血栓栓塞性疾病和抑制 Xa 因子。
• BENZAMIDINE DERIVATIVES
  申请人：Sankyo Company, Limited

  公开号：EP1245564B1

  公开（公告）日：2006-04-05
• SYSTEM AND METHOD FOR TRANSDERMAL DELIVERY OF AN ANTICOAGULANT
  申请人：ALZA CORPORATION

  公开号：EP1758568A1

  公开（公告）日：2007-03-07