3-[(4-methoxyphenyl)methoxy]isoxazol-5-carboxylic acid methyl ester | 1073318-88-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-[(4-methoxyphenyl)methoxy]isoxazol-5-carboxylic acid methyl ester
• 英文别名: methyl 3-[(4-methoxybenzyl)oxy]isoxazole-5-carboxylate；Methyl 3-((4-methoxybenzyl)oxy)isoxazole-5-carboxylate；methyl 3-[(4-methoxyphenyl)methoxy]-1,2-oxazole-5-carboxylate
• CAS: 1073318-88-3
• 化学式: C₁₃H₁₃NO₅
• 分子量: 263.25
• InChiKey: GPTOAAKWGUGQQO-UHFFFAOYSA-N

物化性质

• 沸点：
  419.1±35.0 °C(Predicted)
• 密度：
  1.241±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  70.8
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  3-[(4-methoxyphenyl)methoxy]isoxazol-5-carboxylic acid methyl ester 在 sodium tetrahydroborate 、 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 5.5h， 生成 2-[[3-[(4-Methoxyphenyl)methoxy]-1,2-oxazol-5-yl]methoxy]isoindole-1,3-dione
  参考文献：
  名称：

  EP2557082

  摘要：

  公开号：
• 作为产物：
  描述：

  4-甲氧基苄醇 、 3-羟基异恶唑-5-甲酸甲酯 在 偶氮二甲酸二叔丁酯 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 3-[(4-methoxyphenyl)methoxy]isoxazol-5-carboxylic acid methyl ester
  参考文献：
  名称：

  Discovery of potent and liver-selective stearoyl-CoA desaturase (SCD) inhibitors in an acyclic linker series

  摘要：

  Elevated levels of stearoyl-CoA desaturase (SCD) activity have been implicated in metabolic disorders such as obesity and type II diabetes. To circumvent skin and eye adverse events observed in rodents with systemically-distributed inhibitors, our research efforts have been focused on the search for new liver-targeting compounds. This work has led to the discovery of novel, potent and liver-selective acyclic linker SCD inhibitors. These compounds possess suitable cellular activity and pharmacokinetic properties to inhibit liver SCD activity in a mouse pharmacodynamic model. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.070

文献信息

• NEPRILYSIN INHIBITORS
  申请人：Hughes Adam D.

  公开号：US20130330365A1

  公开（公告）日：2013-12-12

  In one aspect, the invention relates to compounds having the formula X: where R a , R b , R 2 , R 7 , and X are as defined in the specification, or a pharmaceutically acceptable salt thereof. The compounds described herein are prodrugs of compounds having neprilysin inhibition activity. In another aspect, the invention relates to pharmaceutical compositions comprising these compounds; methods of using these compounds; and processes and intermediates for preparing these compounds.

  在一方面，本发明涉及具有公式X的化合物： 其中Ra，Rb，R2，R7和X如说明书所述，或其药用可接受的盐。所描述的化合物是具有中性粒细胞弹性蛋白酶抑制活性的化合物的前药。在另一方面，本发明涉及包含这些化合物的药物组合物；使用这些化合物的方法；以及制备这些化合物的过程和中间体。
• CEPHEM COMPOUND HAVING CATECHOL GROUP
  申请人：Shionogi & Co., Ltd.

  公开号：EP2557082A1

  公开（公告）日：2013-02-13

  A compound of the formula: wherein X is -N=, -CH=, or the like; W is -CH2- or the like; U is -S- or the like; R1 and R2 are each independently hydrogen, halogen, optionally substituted lower alkyl, or the like; R3 is hydrogen or the like; each R4 is independently hydrogen, halogen, or the like; m is an integer from 0 to 2; Q is a single bond, or the like; G is -C(=O)-, or the like; D is a single bond, -NH-, or the like; and E is a cyclic quaternary ammonium group, or an ester, a protected compound at the amino on the ring in the 7-side chain, a pharmaceutically acceptable salt, or a solvate thereof.

  式中的化合物： 其中 X是-N=、-CH=或类似的物质； W 是-CH2-或类似物 U 是 -S- 或类似物； R1 和 R2 各自独立地为氢、卤素、任选取代的低级烷基或类似物； R3 是氢或类似物 每个 R4 独立地为氢、卤素或类似物； m 是 0 至 2 的整数； Q 是单键或类似物； G 是 -C(=O)- 或类似物； D 是单键、-NH- 或类似物；以及 E 是环状季铵基团、 或酯、7-侧链中环上氨基处的受保护化合物、药学上可接受的盐或其溶液。
• BIARYL DERIVATIVE AS GPR120 AGONIST
  申请人：LG Chem, Ltd.

  公开号：EP3239143A2

  公开（公告）日：2017-11-01

  The present invention relates to a biaryl derivative expressed by the chemical formula 1, a method for producing the biaryl derivative, a pharmaceutical composition comprising same, and use of same, the biaryl derivative expressed by the chemical formula 1, as a GPR120 agonist, promoting GLP-1 generation in the gastro-intestinal tract, reducing insulin resistance in the liver, muscles and the like from anti-inflammatory activity in the macrophage, pancreatic cells and the like, and allowing effective use in prevention or treatment of inflammation or metabolic diseases such as diabetes, complications from diabetes, obesity, non-alcoholic fatty liver disease, fatty liver disease, and osteoporosis.

  本发明涉及一种由化学式1表示的生物芳基衍生物、生产该生物芳基衍生物的方法、包含该生物芳基衍生物的药物组合物以及该生物芳基衍生物的用途，由化学式1表示的生物芳基衍生物作为GPR120激动剂，促进胃肠道中GLP-1的生成、从巨噬细胞、胰腺细胞等的抗炎活性中降低肝脏、肌肉等的胰岛素抵抗，并可有效用于预防或治疗炎症或代谢性疾病，如糖尿病、糖尿病并发症、肥胖症、非酒精性脂肪肝、脂肪肝和骨质疏松症。
• Biaryl derivative as GPR120 agonist
  申请人：LG CHEM, LTD.

  公开号：US11261186B2

  公开（公告）日：2022-03-01

  Compounds having the chemical formula 1, a method for producing the compounds of chemical formula 1, a pharmaceutical composition comprising same, and use thereof as a GPR120 agonist for prevention or treatment of inflammation or metabolic diseases such as diabetes, complications from diabetes, obesity, non-alcoholic fatty liver disease, fatty liver disease, and osteoporosis.

  具有化学式1的化合物，制备所述化学式1化合物的方法，包含所述化合物的药物组合物，以及将其用作一种GPR120激动剂，用于预防或治疗炎症或代谢性疾病，如糖尿病、糖尿病并发症、肥胖症、非酒精性脂肪肝病、脂肪肝病和骨质疏松症。
• EP3239143
  申请人：——

  公开号：——

  公开（公告）日：——