ethyl 3-(6-chloropyridin-3-yl)-prop-2-ynoate | 1469887-43-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 3-(6-chloropyridin-3-yl)-prop-2-ynoate
• 英文别名: Ethyl 3-(6-chloro-3-pyridyl)prop-2-ynoate；ethyl 3-(6-chloropyridin-3-yl)prop-2-ynoate
• CAS: 1469887-43-1
• 化学式: C₁₀H₈ClNO₂
• 分子量: 209.632
• InChiKey: LLBTWDNOWAHGIQ-UHFFFAOYSA-N

物化性质

• 沸点：
  318.1±27.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 3-(6-chloropyridin-3-yl)-prop-2-ynoate 在 乙醇 、 盐酸羟胺 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 5-(6-chloropyridin-3-yl)-1,2-oxazol-3-ol
  参考文献：
  名称：

  [EN] HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS
  [FR] COMPOSÉS D'HYDROXY ISOXAZOLE UTILES EN TANT QU'AGONISTES DE GPR120

  摘要：

  本发明涉及一种由公式（I）表示的化合物：以及所述化合物的药学可接受的盐，作为用于治疗或预防糖尿病、高脂血症、肥胖、非酒精性脂肪肝炎（NASH）、炎症相关疾病及相关疾病和状况的有用物质。这些化合物作为G蛋白偶联受体GPR120的激动剂是有用的。还包括药物组合物和治疗方法。

  公开号：

  WO2018107415A1
• 作为产物：
  描述：

  α-(6-chloronicotinoyl)-α-(ethoxycarbonyl)methylenetriphenylphosphorane 120.0 ℃ 、172.37 kPa 条件下， 生成 ethyl 3-(6-chloropyridin-3-yl)-prop-2-ynoate
  参考文献：
  名称：

  N-芳基-4-（氰基/烷氧基羰基）-5-（吡啶-3-基）-1H / 3H-1,2,3-三唑衍生物的合成及抑菌活性

  摘要：

  方便合成新系列的N芳基-5-（吡啶-3-基）-1 H / 3 H 1,2,3-三唑-4腈和烷基N芳基-5-（吡啶基）据报道有3-yl）-1 H / 3 H -1,2,3-三唑-4-羧酸酯。对新合成的5-（吡啶-3-基）-1，2，3-三唑衍生物的抗菌和抗真菌活性进行了评估。这些三唑衍生物中的一些表现出中等的抗菌活性。

  DOI：

  10.1002/jhet.2186

文献信息

• Hydroxy isoxazole compounds useful as GPR120 agonists
  申请人：Merck Sharp & Dohme Corp.

  公开号：US10864211B2

  公开（公告）日：2020-12-15

  The present invention relates to a compound represented by formula (I): and pharmaceutically acceptable salts thereof are disclosed as useful for treating or preventing diabetes, hyperlipidemia, obesity, NASH, inflammation related disorders, and related diseases and conditions. The compounds are useful as agonists of the G-protein coupled receptor GPR120. Pharmaceutical compositions and methods of treatment are also included.

  本发明涉及一种由式（I）代表的化合物：及其药学上可接受的盐被公开用于治疗或预防糖尿病、高脂血症、肥胖症、NASH、炎症相关疾病以及相关疾病和病症。这些化合物可作为 G 蛋白偶联受体 GPR120 的激动剂。还包括药物组合物和治疗方法。
• Demonic axe-like conjugated alkynes in combating microbes
  作者：Jayaram Reddy Komsani、Satish Koppireddi、Sreenivas Avula、Pranay Kumar Koochana、Rambabu Yadla

  DOI：10.1016/j.ejmech.2013.07.013

  日期：2013.10

  A new series of disubstituted alkynes was obtained by microwave induced internal splitting of the corresponding beta-oxo-alkylidenetriphenylphosphoranes. The antimicrobial potential of these conjugated alkynes and phosphoranes was assayed in vitro against three Gram-positive bacteria (Staphylococcus aureus, Bacillus subtilis, Staphylococcus epidermidis), three Gram-negative bacteria (Escherichia coli, Pseudomonas aeruginosa, Klebsiella pneumoniae) and five fungal strains (Aspergillus niger, Candida albicans, Aspergillus flavus, Candida rugosa, Saccharomyces cerevisiae). The 3-pyridylalkyne derivatives viz., 3-(6-chloropyridin-3-yl)propynenitrile (6a), 3-(2-chloropyridin-3-yl)propynenitrile (6b), ethyl 3-(6-chloropyridin-3-yl)propiolate (6c), iso-propyl 3-(6-chloropyridin-3-yl)propiolate (6d) and 3-(2,6-dichloro-5-fluoropyridin-3-yl) propynenitrile (6e) were found to be highly potent towards all tested microorganisms except E. coli. (C) 2013 Elsevier Masson SAS. All rights reserved.
• HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP3555055A1

  公开（公告）日：2019-10-23
• [EN] HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS<br/>[FR] COMPOSÉS D'ISOXAZOLE HYDROXY UTILES EN TANT QU'AGONISTES DU GPR120
  申请人：MERCK SHARP & DOHME

  公开号：WO2018111734A1

  公开（公告）日：2018-06-21

  The present invention relates to a compound represented by formula (I): and pharmaceutically acceptable salts thereof are disclosed as useful for treating or preventing diabetes, hyperlipidemia, obesity, NASH, inflammation related disorders, and related diseases and conditions. The compounds are useful as agonists of the G-protein coupled receptor GPR120. Pharmaceutical compositions and methods of treatment are also included.
• [EN] HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS<br/>[FR] COMPOSÉS D'HYDROXY ISOXAZOLE UTILES EN TANT QU'AGONISTES DE GPR120
  申请人：MERCK SHARP & DOHME

  公开号：WO2018107415A1

  公开（公告）日：2018-06-21

  The present invention relates to a compound represented by formula (I) : and pharmaceutically acceptable salts thereof are disclosed as useful for treating or preventing diabetes, hyperlipidemia, obesity, NASH, inflammation related disorders, and related diseases and conditions. The compounds are useful as agonists of the G-protein coupled receptor GPR120. Pharmaceutical compositions and methods of treatment are also included.

  本发明涉及一种由公式（I）表示的化合物：以及所述化合物的药学可接受的盐，作为用于治疗或预防糖尿病、高脂血症、肥胖、非酒精性脂肪肝炎（NASH）、炎症相关疾病及相关疾病和状况的有用物质。这些化合物作为G蛋白偶联受体GPR120的激动剂是有用的。还包括药物组合物和治疗方法。