1-chloroethyl (2-methoxyethyl) carbonate | 91507-61-8

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 烃类卤化物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: 1-chloroethyl (2-methoxyethyl) carbonate
• 英文别名: 1-Chloroethyl 2-methoxyethyl carbonate
• CAS: 91507-61-8
• 化学式: C₆H₁₁ClO₄
• 分子量: 182.604
• InChiKey: SZVYNQQCPDPFQM-UHFFFAOYSA-N

物化性质

• 沸点：
  198.1±20.0 °C(Predicted)
• 密度：
  1.173±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-chloroethyl (2-methoxyethyl) carbonate 、 雷特格韦钾盐 在 18-冠醚-6 、 potassium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以67%的产率得到1-((4-((4-fluorobenzyl)carbamoyl)-1-methyl-2-(2-(5-methyl-1,3,4-oxadiazole-2-carboxamido)propan-2-yl)-6-oxo-1,6-dihydropyrimidin-5-yl)oxy)ethyl (2-methoxyethyl) carbonate
  参考文献：
  名称：

  MK-8970的发现：具有增强的结肠吸收能力的Raltegravir的乙缩醛碳酸盐前药

  摘要：

  开发新的针对HIV-1感染的抗逆转录病毒疗法并可能减少给药频率，这是药物发现中的重要目标。在此，我们介绍了乙基（1-（（（4-（（4-氟苄基）氨基甲酰基）-1）-甲基-2-（2-（5-甲基-1,3,4-恶二唑-2-羧酰胺基）的发现丙炔基-2-基）-6-氧代-1,6-二氢嘧啶-5-基）氧基）乙基）碳酸酯（MK-8970），一种高度优化的raltegravir前药（Isentress）。Raltegravir是一种小分子HIV整合酶链转移抑制剂，已批准用于每日两次的HIV感染治疗。设计了两类前药以增强结肠吸收，并在体外和体内不同物种的药代动力学研究中评估了衍生物，

  DOI：

  10.1002/cmdc.201402393
• 作为产物：
  描述：

  1-氯乙基氯甲酸酯 生成 1-chloroethyl (2-methoxyethyl) carbonate
  参考文献：
  名称：

  ADAM, FRIEDHELM;BLUMBACH, JURGEN;DURCKHEIMER, WALTER;FISCHER, GERD;MENCKE+

  摘要：

  DOI：

文献信息

• [EN] PYRROLE DERIVATIVES AS ACC INHIBITORS<br/>[FR] DÉRIVÉS DE PYRROLE UTILISÉS EN TANT QU'INHIBITEURS D'ACC
  申请人：ALMIRALL SA

  公开号：WO2019115405A1

  公开（公告）日：2019-06-20

  Novel pyrrole derivatives of Formula (I) are disclosed; as well as process for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of Acetyl- CoA carboxylase (ACC).

  公开了式（I）的新吡咯衍生物；以及它们的制备方法，包括它们的药物组合物以及它们作为乙酰辅酶A羧化酶（ACC）抑制剂在治疗中的用途。
• New indole derivatives as factor xa inhibitors
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1479677A1

  公开（公告）日：2004-11-24

  The present invention relates to compounds of the formula I, in which R0 ; R1 ; R2 ; R3 ; R4 ; R5 ; R6 ; R7 ; Q; V, G and M have the meanings indicated in the claims. The compounds of the formula I are valuable pharmacologically active compounds. They exhibit a strong antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of cardiovascular disorders like thromboembolic diseases or restenoses. They are reversible inhibitors of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can in general be applied in conditions in which an undesired activity of factor Xa and/or factor VIIa is present or for the cure or prevention of which an inhibition of factor Xa and/or factor VIIa is intended. The invention furthermore relates to processes for the preparation of compounds of the formula I, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及具有式I的化合物，其中R0；R1；R2；R3；R4；R5；R6；R7；Q；V，G和M具有索示的含义。式I的化合物是有价值的药理活性化合物。它们表现出强烈的抗血栓作用，例如，适用于治疗和预防心血管疾病，如血栓栓塞疾病或再狭窄。它们是血液凝块酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆抑制剂，通常可用于存在因子Xa和/或FVIIa的不良活性的情况，或者用于治疗或预防需要抑制因子Xa和/或FVIIa的疾病。此外，本发明还涉及制备式I化合物的方法，它们的用途，特别是作为药物中的活性成分，以及包含它们的药物制剂。
• Indole derivatives as factor Xa inhibitors
  申请人：Nazare Marc

  公开号：US20050033049A1

  公开（公告）日：2005-02-10

  The present invention is directed to the compound of formula I which is useful for inhibiting the activity of Factor Xa. The present invention is also directed to compositions containing said compounds, processes for their preparation, their use, such as for inhibiting the formation of thrombin or for therapeutically or prophylactically treating a patient suffering from, or subject to, or associated with a disease state associated with a cardiovascular disorder.

  本发明涉及一种具有化学式I的化合物，用于抑制因子Xa的活性。本发明还涉及含有上述化合物的组合物，其制备过程，以及它们的用途，例如用于抑制凝血酶的形成，或用于治疗或预防患有与心血管疾病有关的疾病状态的患者。
• Benzimidazone compound, process for producing the same, and use thereof
  申请人：——

  公开号：US20040248941A1

  公开（公告）日：2004-12-09

  The present invention relates to a compound represented by the following formula 1 wherein each symbol is as defined in the specification, or a salt thereof, which has superior stability to acid and which is a prodrug of 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]sulfinyl]- 1 H-benzimidazole. This compound (1) shows a superior anti-ulcer activity, a gastric acid secretion-suppressive action, a mucosa-protecting action, an anti- Helicobacter pylori action and the like in living organisms, (2) shows low toxicity, (3) shows superior stability to acid (which obviates the need to formulate an enteric-coated preparation, thereby lowering the cost, and reduces the size of preparation to facilitate swallowing for patients having difficulty in swallowing), (4) shows faster absorption than enteric-coated preparations (rapid expression of gastric acid secretion-suppressive action), and (5) is sustainable.

  本发明涉及以下式1所表示的化合物或其盐，其中每个符号如规范中所定义，该化合物具有优异的酸稳定性，并且是2-[[[3-甲基-4-(2,2,2-三氟乙氧基)-2-吡啶基]甲基]亚磺酰基]-1H-苯并咪唑的前药。该化合物（1）在生物体内显示出优异的抗溃疡活性、抑制胃酸分泌作用、保护粘膜作用、抗幽门螺杆菌作用等，（2）显示出低毒性，（3）显示出优异的酸稳定性（无需配制肠溶涂层制剂，从而降低成本，并减小制剂的大小，以便于吞咽困难的患者），（4）显示出比肠溶涂层制剂更快的吸收速度（快速表达胃酸分泌抑制作用），并且（5）是可持续的。
• BENZIMIDAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1437352A1

  公开（公告）日：2004-07-14

  The present invention relates to a compound represented by the following formula wherein each symbol is as defined in the specification, or a salt thereof, which has superior stability to acid and which is a prodrug of 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]sulfinyl]-1H-benzimidazole. This compound (1) shows a superior anti-ulcer activity, a gastric acid secretion-suppressive action, a mucosa-protecting action, an anti-Helicobacter pylori action and the like in living organisms, (2) shows low toxicity, (3) shows superior stability to acid (which obviates the need to formulate an enteric-coated preparation, thereby lowering the cost, and reduces the size of preparation to facilitate swallowing for patients having difficulty in swallowing), (4) shows faster absorption than enteric-coated preparations (rapid expression of gastric acid secretion-suppressive action), and (5) is sustainable.

  本发明涉及由下式表示的化合物 其中各符号如说明书中所定义，或其盐，它对酸具有优异的稳定性，是 2-[[[3-甲基-4-(2,2,2-三氟乙氧基)-2-吡啶基]甲基]亚磺酰基]-1H-苯并咪唑的原药。这种化合物(1) 在生物体内显示出卓越的抗溃疡活性、胃酸分泌抑制作用、粘膜保护作用、抗幽门螺旋杆菌作用等；(2) 毒性低；(3) 对酸显示出卓越的稳定性（这就无需配制肠溶制剂、(4) 比肠溶制剂吸收更快（快速发挥抑制胃酸分泌的作用），以及 (5) 具有可持续性。