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[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]acetic acid

中文名称
——
中文别名
——
英文名称
[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]acetic acid
英文别名
[2-(3-Fluoro-4-methoxy-phenyl)-cyclopropyl]-acetic acid;2-[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]acetic acid
[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]acetic acid化学式
CAS
——
化学式
C12H13FO3
mdl
——
分子量
224.232
InChiKey
CUMZPZQNTQVHQB-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    2.1
  • 重原子数:
    16
  • 可旋转键数:
    4
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.42
  • 拓扑面积:
    46.5
  • 氢给体数:
    1
  • 氢受体数:
    4

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    参考文献:
    名称:
    Discovery of +(2-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl}-cyclopropyl)acetic acid as potent and selective αvβ3 inhibitor: Design, synthesis, and optimization
    摘要:
    The integrin alpha(v)beta(3) is expressed in a number of cell types and is thought to play a major role in several pathological conditions. Various small molecules that inhibit the integrin have been shown to suppress tumor growth and retinal angiogenesis. The tripeptide Arg-Gly-Asp (RGD), a common binding motif in several ligands that bind to alpha(v)beta(3), has been depeptidized and optimized in our efforts toward discovering a small molecule inhibitor. We recently disclosed the synthesis and biological activity of several small molecules that did not contain any peptide bond and mimic the tripeptide RGD. The phenethyl group in one of the lead compounds was successfully replaced with a cyclopropyl moiety. The new lead compound was optimized for potency, selectivity, and for its ADME properties. We describe herein the discovery, synthesis, and optimization of cyclopropyl containing analogs that are potent and selective inhibitors of alpha(v)beta(3). (c) 2007 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmc.2007.03.020
  • 作为产物:
    描述:
    [2-(3-fluoro-4-methoxyphenyl)cyclopropyl]acetaldehydesilver nitrate 、 sodium hydroxide 作用下, 以 乙醇 为溶剂, 反应 3.0h, 以79%的产率得到[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]acetic acid
    参考文献:
    名称:
    [EN] THIOARYL DERIVATIVES AS GPR120 AGONISTS
    [FR] DÉRIVÉS DE THIOARYLE À TITRE D'AGONISTES DE GPR120
    摘要:
    本发明涉及规范中定义的Formula 1的硫代芳基衍生物,一种制备该衍生物的方法,包含该衍生物的药物组合物以及其用途。根据本发明,Formula 1的硫代芳基衍生物促进胃肠道中GLP-1的形成,并通过抗炎作用改善巨噬细胞、胰腺细胞等的胰岛素抵抗,因此可以有效用于预防或治疗糖尿病、糖尿病并发症、炎症、肥胖、非酒精性脂肪肝、脂肪性肝炎或骨质疏松症。
    公开号:
    WO2014069963A1
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文献信息

  • [EN] THIOARYL DERIVATIVES AS GPR120 AGONISTS<br/>[FR] DÉRIVÉS DE THIOARYLE À TITRE D'AGONISTES DE GPR120
    申请人:LG LIFE SCIENCES LTD
    公开号:WO2014069963A1
    公开(公告)日:2014-05-08
    The present invention relates to thioaryl derivatives of Formula 1 as defined in the specification, a method for preparing the same, a pharmaceutical composition comprising the same and use thereof. The thioaryl derivatives of Formula 1 according to the present invention promote GLP-1 formation in the gastrointestinal tract and improve insulin resistance in macrophages, pancreas cells, etc. due to anti-inflammatory action, and can accordingly be effectively used for preventing or treating diabetes, complications of diabetes, inflammation, obesity, non-alcoholic fatty liver, steatohepatitis or osteoporosis.
    本发明涉及规范中定义的Formula 1的硫代芳基衍生物,一种制备该衍生物的方法,包含该衍生物的药物组合物以及其用途。根据本发明,Formula 1的硫代芳基衍生物促进胃肠道中GLP-1的形成,并通过抗炎作用改善巨噬细胞、胰腺细胞等的胰岛素抵抗,因此可以有效用于预防或治疗糖尿病、糖尿病并发症、炎症、肥胖、非酒精性脂肪肝、脂肪性肝炎或骨质疏松症。
  • THIOARYL DERIVATIVES AS GPR120 AGONISTS
    申请人:LG LIFE SCIENCES LTD.
    公开号:US20150291527A1
    公开(公告)日:2015-10-15
    The present invention relates to thioaryl derivatives of Formula 1 as defined in the specification, a method for preparing the same, a pharmaceutical composition comprising the same and use thereof. The thioaryl derivatives of Formula 1 according to the present invention promote GLP-1 formation in the gastrointestinal tract and improve insulin resistance in macrophages, pancreas cells, etc. due to anti-inflammatory action, and can accordingly be effectively used for preventing or treating diabetes, complications of diabetes, inflammation, obesity, non-alcoholic fatty liver, steatohepatitis or osteoporosis.
    本发明涉及公式1中定义的硫代芳基衍生物,其制备方法,包含其的药物组合物以及使用方法。本发明中的公式1中的硫代芳基衍生物能够促进胃肠道中的GLP-1形成,并通过抗炎作用改善巨噬细胞、胰腺细胞等的胰岛素抵抗力,因此可以有效用于预防或治疗糖尿病、糖尿病并发症、炎症、肥胖症、非酒精性脂肪肝、脂肪性肝炎或骨质疏松症。
  • Thioaryl derivatives as GPR120 agonists
    申请人:LG LIFE SCIENCES LTD.
    公开号:US09447044B2
    公开(公告)日:2016-09-20
    The present invention relates to thioaryl derivatives of Formula 1 as defined in the specification, a method for preparing the same, a pharmaceutical composition comprising the same and use thereof. The thioaryl derivatives of Formula 1 according to the present invention promote GLP-1 formation in the gastrointestinal tract and improve insulin resistance in macrophages, pancreas cells, etc. due to anti-inflammatory action, and can accordingly be effectively used for preventing or treating diabetes, complications of diabetes, inflammation, obesity, non-alcoholic fatty liver, steatohepatitis or osteoporosis.
    本发明涉及公式1中定义的硫代芳基衍生物,其制备方法,包括其的药物组合物以及使用方法。本发明的公式1中的硫代芳基衍生物可以促进胃肠道中的GLP-1形成,并由于其抗炎作用改善巨噬细胞、胰腺细胞等的胰岛素抵抗力,因此可以有效地用于预防或治疗糖尿病、糖尿病并发症、炎症、肥胖、非酒精性脂肪肝、脂肪性肝炎或骨质疏松症。
  • US9447044B2
    申请人:——
    公开号:US9447044B2
    公开(公告)日:2016-09-20
  • Discovery of +(2-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl}-cyclopropyl)acetic acid as potent and selective αvβ3 inhibitor: Design, synthesis, and optimization
    作者:Srinivasan R. Nagarajan、Hwang-Fun Lu、Alan F. Gasiecki、Ish K. Khanna、Mihir D. Parikh、Bipinchandra N. Desai、Thomas E. Rogers、Michael Clare、Barbara B. Chen、Mark A. Russell、Jeffery L. Keene、Tiffany Duffin、V. Wayne Engleman、Mary B. Finn、Sandra K. Freeman、Jon A. Klover、G. Alan Nickols、Maureen A. Nickols、Kristen E. Shannon、Christina A. Steininger、William F. Westlin、Marisa M. Westlin、Melanie L. Williams
    DOI:10.1016/j.bmc.2007.03.020
    日期:2007.5
    The integrin alpha(v)beta(3) is expressed in a number of cell types and is thought to play a major role in several pathological conditions. Various small molecules that inhibit the integrin have been shown to suppress tumor growth and retinal angiogenesis. The tripeptide Arg-Gly-Asp (RGD), a common binding motif in several ligands that bind to alpha(v)beta(3), has been depeptidized and optimized in our efforts toward discovering a small molecule inhibitor. We recently disclosed the synthesis and biological activity of several small molecules that did not contain any peptide bond and mimic the tripeptide RGD. The phenethyl group in one of the lead compounds was successfully replaced with a cyclopropyl moiety. The new lead compound was optimized for potency, selectivity, and for its ADME properties. We describe herein the discovery, synthesis, and optimization of cyclopropyl containing analogs that are potent and selective inhibitors of alpha(v)beta(3). (c) 2007 Elsevier Ltd. All rights reserved.
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