5-chloro-N-({(5S)-2-oxo-3-[4-(5,6-dihydro-4H-[1,2,4]triazin-1-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide methanesulfonate | 1261138-12-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 5-chloro-N-({(5S)-2-oxo-3-[4-(5,6-dihydro-4H-[1,2,4]triazin-1-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide methanesulfonate
• 英文别名: 5-chloro-N-({(5S)-2-oxo-3-[(5,6-dihydro-4H-[1,2,4]-triazin-1-yl)phenyl]-1,3-oxazolidin-5-yl}-methyl)-2-thiophenecarboxamide methanesulfonate；5-chloro-N-({(5S)-2-oxo-3-[4-(5,6-dihydro-4H-[1,2,4]-triazin-1-yl)phenyl]-1,3-oxazolidin-5-yl}-methyl)-2-thiophenecarboxamide methanesulfonate；2-Thiophenecarboxamide, 5-chloro-N-(((5S)-3-(4-(5,6-dihydro-1,2,4-triazin-1(2H)-yl)phenyl)-2-oxo-5-oxazolidinyl)methyl)-, methanesulfonate (1:1)；5-chloro-N-[[(5S)-3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;methanesulfonic acid
• CAS: 1261138-12-8
• 化学式: CH₄O₃S*C₁₈H₁₈ClN₅O₃S
• 分子量: 515.999
• InChiKey: YSNDMQDQQLSJMR-UQKRIMTDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.01
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  177
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  tert-butyl N-[2-[N-amino-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]ethyl]carbamate 以63的产率得到5-chloro-N-({(5S)-2-oxo-3-[4-(5,6-dihydro-4H-[1,2,4]triazin-1-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide methanesulfonate
  参考文献：
  名称：

  FXA INHIBITORS WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF

  摘要：

  本发明涉及具有环状酰胺肟或环状酰胺腙基团的新型噁唑烷衍生物，其药学上可接受的盐，制备方法和包含它们的制药组合物。具有环状酰胺肟或环状酰胺腙基团的噁唑烷衍生物或其药学上可接受的盐，可有效用于治疗血栓栓塞和肿瘤，作为抗凝剂基于对于因子Xa的抑制。

  公开号：

  US20110112083A1

文献信息

• METHOD FOR PREPARING 5-CHLORO-N-(METHYL)THIOPHEN-2-CARBOXAMIDE DERIVATIVE AND INTERMEDIATE USED THEREIN
  申请人：Cho Young Lag

  公开号：US20120136149A1

  公开（公告）日：2012-05-31

  Disclosed are: a method for preparing a 5-chloro-N-((5S)-2-oxo-3-[4-(5,6-dihydro-4H-[1,2,4]triazin- 1 -yl)phenyl]-1,3-oxazolidin-5-yl}-methyl)thiophene-2-carboxamide derivative, which is a inhibitor of blood coagulation factor Xa, in a high purity and yield; and a novel intermedicate used therein.

  公开了一种制备5-氯-N-((5S)-2-氧代-3-[4-(5,6-二氢-4H-[1,2,4]三嗪-1-基)苯基]-1,3-噁唑烷-5-基}-甲基)噻吩-2-羧酰胺衍生物的方法，该衍生物是一种高纯度和产率的血凝血酶Xa抑制剂；以及用于其中的一种新型中间体。
• FXA INHIBITORS WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF
  申请人：Song Ho Young

  公开号：US20110112083A1

  公开（公告）日：2011-05-12

  The present invention relates to novel oxazolidinone derivatives with cyclic amidoxime or cyclic amidrazone group, pharmaceutically acceptable salts thereof, methods for preparing the same and pharmaceutical compositions comprising the same. The oxazolidinone derivatives with cyclic amidoxime or cyclic amidrazone group or the pharmaceutically acceptable salts thereof can be effectively used for the treatment of thromboembolism and tumor as an anticoagulant based on the inhibition of factor Xa.

  本发明涉及具有环状酰胺肟或环状酰胺腙基团的新型噁唑烷衍生物，其药学上可接受的盐，制备方法和包含它们的制药组合物。具有环状酰胺肟或环状酰胺腙基团的噁唑烷衍生物或其药学上可接受的盐，可有效用于治疗血栓栓塞和肿瘤，作为抗凝剂基于对于因子Xa的抑制。
• NOVEL CRYSTALLINE FORM OF 5-CHLORO-N-({(5S)-2-OXO-3-[4-(5,6-DIHYDRO-4H-[1,2,4]TRIAZIN-1-YL)PHENYL]-1,3-OXAZOLIDIN-5-YL}METHYL)THIOPHENE-2-CARBOXAMIDE METHANESULFONATE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME
  申请人：Green Cross Corporation

  公开号：EP3170819A1

  公开（公告）日：2017-05-24

  The present invention relates to a novel crystalline form of 5-chloro-N-((5S)-2-oxo-3-[4-(5,6-dihydro-4H-[1,2,4]triazin-1-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide methanesulfonate and a pharmaceutical composition containing the same. The novel crystalline form of a compound according to the present invention exhibits excellent stability even in high-temperature and humidity environments, and thus can be favorably used to prevent or treat diseases, such as thrombosis, myocardial infarction, atherosclerosis, inflammation, stroke, angina pectoris, restenosis after angioplasty, and thromboembolism. (FR)La présente invention concerne une nouvelle forme cristalline de methanesulfonate de 5-chloro-N-((5S)-2-oxo-3-[4-(5,6-dihydro-4H-[1,2,4]triazin-1-yl)phenyl]-1,3-oxazolidin-5-yl}méthyl)thiophène-2-carboxamide et une composition pharmaceutique le contenant. La nouvelle forme cristalline d'un compose selon la présente invention présente une excellente stabilité, même dans des environnements à haute temperature et haute humidité et peut donc etre utilisée favorablement pour prévenir ou traiter des maladies, telles qu'une thrombose, un infarctus du myocarde, l'athérosclérose, une inflammation, un AVC, une angine de poitrine, une resténose après angioplastie et la thromboembolie.

  本发明涉及一种新型结晶形式的 5-氯-N-((5S)-2-氧代-3-[4-(5,6-二氢-4H-[1,2,4]三嗪-1-基)苯基]-1,3-恶唑啉-5-基}甲基)噻吩-2-甲酰胺甲磺酸盐和含有该化合物的药物组合物。根据本发明的化合物的新型结晶形式即使在高温高湿的环境中也表现出优异的稳定性，因此可以很好地用于预防或治疗疾病，如血栓形成、心肌梗塞、动脉粥样硬化、炎症、中风、心绞痛、血管成形术后再狭窄和血栓栓塞。(FR)本发明涉及一种 5-氯-N-((5S)-2-氧代-3-[4-(5,6-二氢-4H-[1,2,4]三嗪-1-基)苯基]-1,3-恶唑啉-5-基}甲基)噻吩-2-甲酰胺甲磺酸盐的新结晶形式和含有它的药物组合物。根据本发明的化合物的新结晶形式具有极佳的稳定性，即使在高温高湿的环境中也是如此，因此可以很好地用于预防或治疗血栓形成、心肌梗塞、动脉粥样硬化、炎症、中风、心绞痛、血管成形术后再狭窄和血栓栓塞等疾病。
• [EN] METHOD FOR PREPARING 5-CHLORO-N-({(5S)-2-OXO-3-[4-(5,6-DIHYDRO-4H-[1,2,4]TRIAZIN-1-YL)PHENYL]-1,3-OXAZOLIDIN-5-YL}METHYL)THIOPHEN-2-CARBOXAMIDE DERIVATIVE AND INTERMEDIATE USED THEREIN<br/>[FR] PROCÉDÉ D'ÉLABORATION DE DÉRIVÉ DE 5-CHLORO-N-({(5S)-2-OXO-3-[4-(5,6-DIHYDRO-4H-[1,2,4]TRIAZIN-1-YL)PHÉNYL]-1,3-OXAZOLIDIN-5-YL}MÉTHYL)THIOPHÈN-2-CARBOXAMIDE ET INTERMÉDIAIRE UTILISÉ À CET EFFET
  申请人：GREEN CROSS CORP

  公开号：WO2011005029A3

  公开（公告）日：2011-05-26
• METHOD FOR PREPARING 5-CHLORO-N-({(5S)-2-OXO-3-[4-(5,6-DIHYDRO-4H-[1,2,4]TRIAZIN-1-YL)PHENYL]-1,3-OXAZOLIDIN-5-YL}METHYL)THIOPHEN-2-CARBOXAMIDE DERIVATIVE AND INTERMEDIATE USED THEREIN
  申请人：Green Cross Corporation

  公开号：EP2451803A2

  公开（公告）日：2012-05-16