[N-methyl-N-acetoxyethyl]carbamic acid chloromethyl ester | 338990-24-2

• 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: [N-methyl-N-acetoxyethyl]carbamic acid chloromethyl ester
• 英文别名: 2-[Chloromethoxycarbonyl(methyl)amino]ethyl acetate
• CAS: 338990-24-2
• 化学式: C₇H₁₂ClNO₄
• 分子量: 209.63
• InChiKey: HPTVOXBTKBBLRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [N-methyl-N-acetoxyethyl]carbamic acid chloromethyl ester 在 sodium iodide 作用下， 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Design, synthesis and antifungal activity of a novel water soluble prodrug of antifungal triazole

  摘要：

  A highly potent water soluble triazole antifungal prodrug, RO0098557 (1), has been identified from its parent, the novel antifungal agent RO0094815 (2). The prodrug includes a triazolium salt linked to an aminocarboxyl moiety, which undergoes enzymatic activation followed by spontaneous chemical degradation to release 2. Prodrug 1 showed high chemical stability and water solubility and exhibited strong antifungal activity against systemic candidiasis and aspergillosis as well as pulmonary aspergillosis in rats. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00892-2
• 作为产物：
  描述：

  乙酸酐 、 chloromethyl N-(2-hydroxyethyl)-N-methylcarbamate 在 吡啶 作用下， 生成 [N-methyl-N-acetoxyethyl]carbamic acid chloromethyl ester
  参考文献：
  名称：

  Design, synthesis and antifungal activity of a novel water soluble prodrug of antifungal triazole

  摘要：

  A highly potent water soluble triazole antifungal prodrug, RO0098557 (1), has been identified from its parent, the novel antifungal agent RO0094815 (2). The prodrug includes a triazolium salt linked to an aminocarboxyl moiety, which undergoes enzymatic activation followed by spontaneous chemical degradation to release 2. Prodrug 1 showed high chemical stability and water solubility and exhibited strong antifungal activity against systemic candidiasis and aspergillosis as well as pulmonary aspergillosis in rats. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00892-2

文献信息

• Substituted 4-phenyl pyridine compounds as non-systemic TGR5 agonists
  申请人：Ardelyx, Inc.

  公开号：US10392413B2

  公开（公告）日：2019-08-27

  The invention relates to non-systemic TGR5 agonist useful in the treatment of chemotherapy-induced diarrhea, diabetes, Type II diabetes, gestational diabetes, impaired fasting glucose, impaired glucose tolerance, insulin resistance, hyperglycemia, obesity, metabolic syndrome, ulcerative colitis, Crohn's disease, disorders associated with parenteral nutrition especially during short bowel syndrome, and irritable bowel syndrome (IBS), and other TGR5 associated diseases and disorders, having the Formula: where R1, R2, R2′, R3, R4, X1, X2, X3, X4, Q, and n are described herein.

  本发明涉及可用于治疗化疗引起的腹泻、糖尿病、II 型糖尿病、妊娠糖尿病、空腹血糖受损、糖耐量受损、胰岛素抵抗、高血糖、肥胖、代谢综合征、溃疡性结肠炎、克罗恩病、肠外营养相关疾病，尤其是短肠综合征和肠易激综合征（IBS），以及其他与 TGR5 相关的疾病和失调的非系统性 TGR5 激动剂，其配方如下： 其中 R1、R2、R2′、R3、R4、X1、X2、X3、X4、Q 和 n 如本文所述。
• SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS
  申请人：Ardelyx, Inc.

  公开号：EP3390382A1

  公开（公告）日：2018-10-24
• [EN] SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS<br/>[FR] UTILISATION DE COMPOSÉS 4-PHÉNYL PYRIDINE SUBSTITUÉS EN TANT QU'AGONISTES NON SYSTÉMIQUES DU TGR5
  申请人：ARDELYX INC

  公开号：WO2017106818A1

  公开（公告）日：2017-06-22

  The invention relates to non-systemic TGR5 agonist useful in the treatment of chemotherapy-induced diarrhea, diabetes, Type II diabetes, gestational diabetes, impaired fasting glucose, impaired glucose tolerance, insulin resistance, hyperglycemia, obesity, metabolic syndrome, ulcerative colitis, Crohn's disease, disorders associated with parenteral nutrition especially during short bowel syndrome, and irritable bowel syndrome (IBS), and other TGR5 associated diseases and disorders, having the Formula: (I'), where R1, R2, R2', R3, R4, X1, X2, X3, X4, Q, and n are described herein.