methyl (1R*,3S*,4S*)-4-N-tert-butoxycarbonylamino-3-methanesulfonyloxycyclohexane-1-carboxylate | 1210348-30-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: methyl (1R*,3S*,4S*)-4-N-tert-butoxycarbonylamino-3-methanesulfonyloxycyclohexane-1-carboxylate
• 英文别名: methyl (1R,3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonyloxycyclohexane-1-carboxylate
• CAS: 1210348-30-3
• 化学式: C₁₄H₂₅NO₇S
• 分子量: 351.421
• InChiKey: OHIPICLWYIUVAA-VWYCJHECSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl (1R*,3S*,4S*)-4-N-tert-butoxycarbonylamino-3-methanesulfonyloxycyclohexane-1-carboxylate 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 methyl (1R*,3R*,4R*)-3-azido-4-(N-tert-butoxycarbonylamino)cyclohexane-1-carboxylate
  参考文献：
  名称：

  ETHYLENEDIAMINE DERIVATIVES

  摘要：

  公开号：

  EP1270557B1
• 作为产物：
  描述：

  甲基磺酰氯 、 methyl c-4-(tert-butoxycarbonylamino)-t-3-hydroxy-r-1-cyclohexanecarboxylate 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 methyl (1R*,3S*,4S*)-4-N-tert-butoxycarbonylamino-3-methanesulfonyloxycyclohexane-1-carboxylate
  参考文献：
  名称：

  Stereoselective synthesis and biological evaluation of 3,4-diaminocyclohexanecarboxylic acid derivatives as factor Xa inhibitors

  摘要：

  There have been few reports on synthetic methods for cis-1,2-diaminocyclohexane bearing a third ring substituent. Starting from 3-cyclohexenecarboxylic acid, we developed efficient methods for synthesizing the 3,4-diaminocyclohexanecarboxylic acid derivatives 2-5. We also evaluated their anti-Xa and anticoagulant activities. Among the compounds, acid 2a and amide 2b exhibited the most potent in vitro anti-fXa activity, indicating that the position and stereochemistry of a polar functional group on the cyclohexane ring greatly affected the in vitro anti-fXa activity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.031

文献信息

• Diamine derivatives
  申请人：Ohta Toshiharu

  公开号：US20050245565A1

  公开（公告）日：2005-11-03

  A compound represented by the general formula (1): Q 1 -Q 2 -T 0 -N(R 1 )-Q 3 -N(R 2 ) -T 1 -Q 4 (1) wherein R 1 and R 2 are hydrogen atoms or the like; Q 1 is a saturated or unsaturated, 5- or 6-membered cyclic hydrocarbon group which may be substituted, or the like; Q 2 is a single bond or the like; Q 3 is a group in which Q 5 is an alkylene group having 1 to 8 carbon atoms, or the like; and T 0 and T 1 are carbonyl groups or the like; a salt thereof, a solvate thereof, or an N-oxide thereof. The compound is useful as an agent for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism, Buerger's disease, deep venous thrombosis, disseminated intravascular coagulation syndrome, thrombus formation after valve or joint replacement, thrombus formation and reocclusion after angioplasty, systemic inflammatory response syndrome (SIRS), multiple organ dysfunction syndrome (MODS), thrombus formation during extracorporeal circulation, or blood clotting upon blood drawing.

  化合物的一般式表示为（1）：Q1-Q2-T0-N（R1）-Q3-N（R2）-T1-Q4（1），其中R1和R2是氢原子或类似物；Q1是饱和或不饱和的、5或6个成员的环烃基，可以被取代，或类似物；Q2是单键或类似物；Q3是一个团，其中Q5是1至8个碳原子的烷基或类似物；T0和T1是羰基或类似物；其盐、溶剂化物或N-氧化物。该化合物可用作预防和/或治疗脑梗死、脑栓塞、心肌梗死、心绞痛、肺梗死、肺栓塞、伯格病、深静脉血栓形成、弥散性血管内凝血综合征、瓣膜或关节置换后的血栓形成、血管成形术后的血栓形成和再闭塞、全身性炎症反应综合征（SIRS）、多器官功能障碍综合征（MODS）、体外循环期间的血栓形成或采血时的血凝。
• DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM
  申请人：OHTA Toshiharu

  公开号：US20090281074A1

  公开（公告）日：2009-11-12

  Drug compositions containing a substituted diamine compound represented by formula (1): Q 1 -Q 2 -r-N(R 1 )-Q 3 -N(R 2 )  (1) wherein Q 3 represents the following group wherein Q 5 represents an alkylene group having 4 carbon atoms, R 3 represents a hydrogen atom, and R 4 represents a 3-6 membered heterocyclic group which may be substituted; are useful for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism, Buerger's disease, deep venous thrombosis, disseminated intravascular coagulation syndrome, thrombus formation after artificial valve or joint replacement, thrombus formation and reocclusion after angioplasty, systemic inflammatory response syndrome (SIRS), multiple organ dysfunction syndrome (MODS), thrombus formation during extracorporeal circulation, or blood clotting upon blood drawing.

  含有以下式子（1）所代表的取代二胺化合物的药物组合物： Q1-Q2-r-N（R1）-Q3-N（R2）  （1） 其中，Q3代表以下基团： 其中，Q5代表具有4个碳原子的烷基基团，R3代表氢原子，R4代表可取代的3-6环杂环基团； 该药物组合物对于预防和/或治疗脑梗死、脑栓塞、心肌梗死、心绞痛、肺梗死、肺栓塞、布尔格病、深静脉血栓形成、弥散性血管内凝血综合征、人工瓣膜或关节置换后的血栓形成、血管成形术后的血栓形成和再闭塞、全身性炎症反应综合征（SIRS）、多器官功能障碍综合征（MODS）、体外循环期间的血栓形成或采血时的血凝。
• Diamine Derivatives
  申请人：Ohta Toshiharu

  公开号：US20110077266A1

  公开（公告）日：2011-03-31

  The present invention relates to diamine compounds which inhibit activated blood coagulation factor X and exhibit an anticoagulant effect and there uses for treating various diseases based on thromboembolism.

  本发明涉及抑制活化的血凝血酶因子X并具有抗凝作用的二胺化合物及其用于治疗基于血栓栓塞的各种疾病的用途。
• Antithrombotic diaminocyclohexane derivatives
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP1577301B1

  公开（公告）日：2012-09-12
• DIAMINE DERIVATIVES
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP1405852B9

  公开（公告）日：2013-03-27