EMD 495235

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: EMD 495235
• 英文别名: (R)-2-[(5-chloro-thiophene-2-carbonyl)-amino]-N-[3-methyl-4-(3-oxo-morpholin-4-yl)-phenyl]-3-methoxy-propionic acid amide；5-chloro-thiophene-2-carboxylic acid N-{(1R)-2-methoxy-1-[3-methyl-4-(3-oxo-morpholin-4-yl)-phenylcarbamoyl]-ethyl}-amide；2-Thiophenecarboxamide, 5-chloro-N-[(1R)-1-(methoxymethyl)-2-[[3-methyl-4-(3-oxo-4-morpholinyl)phenyl]amino]-2-oxoethyl]-；5-chloro-N-[(2R)-3-methoxy-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
• 化学式: C₂₀H₂₂ClN₃O₅S
• 分子量: 451.931
• InChiKey: ZJKUSSXXGFPAIZ-CQSZACIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  125
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-硝基-2-甲苯胺 在 palladium on activated charcoal 氢气 、 potassium carbonate 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 、 乙腈 为溶剂， 20.0~95.0 ℃ 、100.0 kPa 条件下， 反应 58.0h， 生成 EMD 495235
  参考文献：
  名称：

  Chlorothiophenecarboxamides as P1 surrogates of inhibitors of blood coagulation factor Xa

  摘要：

  Neutral chlorothiophenecarboxamides bearing an amino acid and a substituted aniline were synthesized and investigated for their factor Xa inhibitory activity in vitro. From selected 2-methylphenyl morpholinones the solution properties were determined. The most soluble and active compounds were then investigated in different animal species to compare the pharmacokinetic parameters. This led to a potent, water soluble and orally bioavailable candidate for further development: EMD 495235. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.09.043

文献信息

• SUBSTITUTED OXAZOLIDINONES AND THEIR USE
  申请人：Allerheiligen Swen

  公开号：US20100261759A1

  公开（公告）日：2010-10-14

  The invention relates to novel substituted oxazolidinones, to processes for their preparation, to their use for the treatment and/or prophylaxis of diseases and their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular of thromboembolic disorders.

  这项发明涉及新型取代氧唑烷酮，其制备方法，其用于治疗和/或预防疾病以及用于制备用于治疗和/或预防疾病，特别是血栓栓塞性疾病的药物。
• 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS
  申请人：Siegel Stephan

  公开号：US20100105663A1

  公开（公告）日：2010-04-29

  The invention relates to substituted indazoles and methods for production thereof and use thereof for the production of medicinal products for the treatment and/or prophylaxis of diseases, especially of cardiovascular diseases, preferably of thromboembolic diseases.

  该发明涉及取代吲唑并且生产方法以及用于制备治疗和/或预防疾病的药物的用途，特别是心血管疾病，最好是血栓栓塞疾病。
• Substituted thiophene carboxamides
  申请人：Pfau Roland

  公开号：US20050277628A1

  公开（公告）日：2005-12-15

  The present invention relates to new substituted thiophene-2-carboxylic acid amides of general formula wherein A, and R 1 to R 8c are defined as in claim 1, the tautomers, the enantiomers, the diastereomers, the mixtures thereof and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, which have valuable properties.

  本发明涉及一种新的取代噻吩-2-羧酸酰胺，其通式为其中A和R1至R8如权利要求1所定义，其互变异构体，对映异构体，非同构异构体，其混合物和盐，特别是与无机或有机酸或碱的生理上可接受的盐，具有有价值的性质。
• Carboxamides
  申请人：Dorsch Dieter

  公开号：US20060052376A1

  公开（公告）日：2006-03-09

  Novel compounds of the formula (I), in which D, W, X, Y, T, m and R 1 have the meaning indicated in Patent claim 1 , are inhibitors of coagulation factor Xa and can be employed for the prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumours.

  式 (I) 的新型化合物，其中 D、W、X、Y、T、m 和 R 1 具有专利权利要求 1 是凝血因子 Xa 的抑制剂，可用于血栓栓塞性疾病的预防和/或治疗以及肿瘤的治疗。
• CARBONSÄUREAMIDE
  申请人：Merck Patent GmbH

  公开号：EP1562939B1

  公开（公告）日：2009-01-21