[4-((3R,6R,7R)-6-tert-butyl-2-thioxo-tetrahydro-benzo[1.3]dioxol-3-yl)-phenyl]-acetic acid ethyl ester | 1207989-53-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [4-((3R,6R,7R)-6-tert-butyl-2-thioxo-tetrahydro-benzo[1.3]dioxol-3-yl)-phenyl]-acetic acid ethyl ester
• 英文别名: ethyl 2-[4-[(3aR,6R,7aR)-6-tert-butyl-2-sulfanylidene-5,6,7,7a-tetrahydro-4H-1,3-benzodioxol-3a-yl]phenyl]acetate
• CAS: 1207989-53-4
• 化学式: C₂₁H₂₈O₄S
• 分子量: 376.517
• InChiKey: BWQJJZXWTITVCT-CBGDNZLLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  76.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  [4-((1R,2R,4R)-4-tert-butyl-1,2-dihydroxycyclohexyl)phenyl]acetic acid ethyl ester 、 N,N'-硫羰基二咪唑 以 四氢呋喃 为溶剂， 生成 [4-((3R,6R,7R)-6-tert-butyl-2-thioxo-tetrahydro-benzo[1.3]dioxol-3-yl)-phenyl]-acetic acid ethyl ester
  参考文献：
  名称：

  [EN] GLUCAGON ANTAGONISTS
  [FR] ANTAGONISTES DE GLUCAGON

  摘要：

  本文提供了化合物，包括其对映体纯形式，以及具有胰高血糖素受体拮抗剂或逆向激动剂活性的药用盐或共晶体和前药。此外，本文提供了包括这些化合物的药物组合物，以及治疗、预防、延缓发病时间或减少一种或多种胰高血糖素受体拮抗剂适用的疾病或病情的发展或进展风险的方法，包括I型和II型糖尿病、胰岛素抵抗和高血糖。此外，本文提供了制备或生产本文披露的化合物的方法，包括其对映体纯形式，以及药用盐或共晶体和前药。公式I

  公开号：

  WO2010019830A1

文献信息

• GLUCAGON ANTAGONISTS
  申请人：Metabasis Therapeutics, Inc.

  公开号：US20150087680A1

  公开（公告）日：2015-03-26

  Provided herein are compounds, including enantiomerically pure forms thereof, and pharmaceutically acceptable salts or co-crystals and prodrugs thereof which have glucagon receptor antagonist or inverse agonist activity. Further, provided herein are pharmaceutical compositions comprising the same as well as methods of treating, preventing, delaying the time to onset or reducing the risk for the development or progression of a disease or condition for which one or more glucagon receptor antagonist is indicated, including Type I and II diabetes, insulin resistance and hyperglycemia. Moreover, provided herein are methods of making or manufacturing compounds disclosed herein, including enantiomerically pure forms thereof, and pharmaceutically acceptable salts or Co-crystals and prodrugs thereof. Formula I

  本文提供了化合物，包括其对映体纯形式，以及药学上可接受的盐或共晶体和前药，其具有胰高血糖素受体拮抗剂或反向激动剂活性。此外，本文提供了包含上述化合物的制药组合物，以及治疗、预防、延迟发病时间或降低一种或多种需要胰高血糖素受体拮抗剂的疾病或病情的风险的方法，包括1型和2型糖尿病、胰岛素抵抗和高血糖。此外，本文还提供了制备或制造上述化合物，包括其对映体纯形式，以及药学上可接受的盐或共晶体和前药的方法。公式I。
• Glucagon antagonists
  申请人：Metabasis Therapeutics, Inc.

  公开号：EP2799428A2

  公开（公告）日：2014-11-05

  Provided herein are compounds, including enantiomerically pure forms thereof, and pharmaceutically acceptable salts or co-crystals and prodrugs thereof which have glucagon receptor antagonist or inverse agonist activity. Further, provided herein are pharmaceutical compositions comprising the same as well as methods of treating, preventing, delaying the time to onset or reducing the risk for the development or progression of a disease or condition for which one or more glucagon receptor antagonist is indicated, including Type I and II diabetes, insulin resistance and hyperglycemia. Moreover, provided herein are methods of making or manufacturing compounds disclosed herein, including enantiomerically pure forms thereof, and pharmaceutically acceptable salts or co-crystals and prodrugs thereof.

  本文提供了具有胰高血糖素受体拮抗剂或反向激动剂活性的化合物（包括其对映体纯形式）及其药学上可接受的盐或共晶体和原药。此外，本文还提供了包含上述成分的药物组合物，以及治疗、预防、延缓发病时间或降低疾病或病情发展风险的方法，这些疾病或病情适用于一种或多种胰高血糖素受体拮抗剂，包括I型和II型糖尿病、胰岛素抵抗和高血糖症。此外，本文还提供了制造或生产本文公开的化合物的方法，包括其对映体纯形式，以及其药学上可接受的盐或共晶体和原药。
• Glucagon Antagonists
  申请人：LIGAND PHARMACEUTICALS,INC.

  公开号：US20190099391A1

  公开（公告）日：2019-04-04

  Provided herein are compounds, including enantiomerically pure forms thereof, and pharmaceutically acceptable salts or co-crystals and prodrugs thereof which have glucagon receptor antagonist or inverse agonist activity. Further, provided herein are pharmaceutical compositions comprising the same as well as methods of treating, preventing, delaying the time to onset or reducing the risk for the development or progression of a disease or condition for which one or more glucagon receptor antagonist is indicated, including Type I and II diabetes, insulin resistance and hyperglycemia. Moreover, provided herein are methods of making or manufacturing compounds disclosed herein, including enantiomerically pure forms thereof, and pharmaceutically acceptable salts or co-crystals and prodrugs thereof.
• US9783494B2
  申请人：——

  公开号：US9783494B2

  公开（公告）日：2017-10-10
• [EN] GLUCAGON ANTAGONISTS<br/>[FR] ANTAGONISTES DE GLUCAGON
  申请人：METABASIS THERAPEUTICS INC

  公开号：WO2010019830A1

  公开（公告）日：2010-02-18

  Provided herein are compounds, including enantiomerically pure forms thereof, and pharmaceutically acceptable salts or co-crystals and prodrugs thereof which have glucagon receptor antagonist or inverse agonist activity. Further, provided herein are pharmaceutical compositions comprising the same as well as methods of treating, preventing, delaying the time to onset or reducing the risk for the development or progression of a disease or condition for which one or more glucagon receptor antagonist is indicated, including Type I and II diabetes, insulin resistance and hyperglycemia. Moreover, provided herein are methods of making or manufacturing compounds disclosed herein, including enantiomerically pure forms thereof, and pharmaceutically acceptable salts or Co- crystals and prodrugs thereof. Formula I

  本文提供了化合物，包括其对映体纯形式，以及具有胰高血糖素受体拮抗剂或逆向激动剂活性的药用盐或共晶体和前药。此外，本文提供了包括这些化合物的药物组合物，以及治疗、预防、延缓发病时间或减少一种或多种胰高血糖素受体拮抗剂适用的疾病或病情的发展或进展风险的方法，包括I型和II型糖尿病、胰岛素抵抗和高血糖。此外，本文提供了制备或生产本文披露的化合物的方法，包括其对映体纯形式，以及药用盐或共晶体和前药。公式I