(R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)-3-phenylpropanoic acid

• 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: (R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)-3-phenylpropanoic acid
• 英文别名: (R)-2-[(1-Chloro-4-hydroxy-isoquinoline-3-carbonyl)-amino]-3-phenyl-propionic acid；(2R)-2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]-3-phenylpropanoic acid
• 化学式: C₁₉H₁₅ClN₂O₄
• 分子量: 370.792
• InChiKey: QZRXYSFKUSQNIL-CQSZACIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  99.5
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  methyl-(R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)-3-phenylpropanoate 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以95%的产率得到(R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)-3-phenylpropanoic acid
  参考文献：
  名称：

  Structural Basis for Inhibition of the Fat Mass and Obesity Associated Protein (FTO)

  摘要：

  The fat mass and obesity associated protein (FTO) is a potential target for anti-obesity medicines. FTO is a 2-oxoglutarate (2OG)-dependent N-methyl nucleic acid demethylase that acts on substrates including 3-methylthymidine, 3-methyluracil, and 6-methyladenine. To identify FTO inhibitors, we screened a set of 2OG analogues and related compounds using differential scanning fluorometry- and liquid chromatography-based assays. The results revealed sets of both cyclic and acyclic 2OG analogues that are FTO inhibitors. Identified inhibitors include small molecules that have been used in clinical studies for the inhibition of other 2OG oxygenases. Crystallo-graphic analyses reveal inhibition by 2OG cosubstrate or primary substrate competitors as well as compounds that bind across both cosubstrate and primary substrate binding sites. The results will aid the development of more potent and selective FTO inhibitors.

  DOI：

  10.1021/jm400193d

文献信息

• Novel nitrogen-containing heteroaryl compounds and methods of use thereof
  申请人：FibroGen, Inc.

  公开号：US20040254215A1

  公开（公告）日：2004-12-16

  The present invention relates to compounds suitable for use in mediating hypoxia inducible factor and for treating erythropoietin-associated conditions by increasing endogenous erythropoietin in vitro and in vivo.

  本发明涉及适用于介导缺氧诱导因子和治疗与促红细胞生成素相关疾病的化合物，通过在体外和体内增加内源性促红细胞生成素来实现。
• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSÉS CHIMIQUES
  申请人：ISIS INNOVATION

  公开号：WO2015092412A1

  公开（公告）日：2015-06-25

  A compound which is a pyridine or isoquinoline derivative of formula (I), or a pharmaceutically acceptable salt thereof, which is useful in the inhibition of γ- butyrobetaine hydroxylase (BBOX). The compounds are particularly useful in treatment of cardiovascular disease and diabetes. (I)

  一种化合物，是公式(I)的吡啶或异喹啉衍生物，或其药学上可接受的盐，用于抑制γ-丁酰甜菜碱羟化酶（BBOX）。这些化合物在治疗心血管疾病和糖尿病方面特别有用。
• [EN] NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENOUS ERYTHROPOIETIN<br/>[FR] COMPOSES HETEROARYLIQUES CONTENANT DE L'AZOTE ET LEUR UTILISATION DANS L'AUGMENTATION DE L'ERYTHROPOIETINE ENDOGENE
  申请人：FIBROGEN INC

  公开号：WO2004108681A1

  公开（公告）日：2004-12-16

  The present invention relates to compounds suitable for use in mediating hypoxia inducible factor and for treating erythropoietin-associated conditions by increasing endogenous erythropoietin in vitro and in vivo.

  本发明涉及一种适用于介导缺氧诱导因子和治疗与促红细胞生成素相关疾病的化合物，通过在体外和体内增加内源性促红细胞生成素。
• NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Arend Michael P.

  公开号：US20080293763A1

  公开（公告）日：2008-11-27

  The present invention relates to compounds suitable for use in mediating hypoxia inducible factor and for treating erythropoietin-associated conditions by increasing endogenous erythropoietin in vitro and in vivo.

  本发明涉及适用于介导缺氧诱导因子并通过在体内外增加内源性促红细胞生成素来治疗与促红细胞生成素相关的疾病的化合物。
• Novel Nitrogen-Containing Heteroaryl Compounds And Methods of Use Thereof
  申请人：AREND P. Michael

  公开号：US20070185159A1

  公开（公告）日：2007-08-09

  The present invention relates to compounds suitable for use in mediating hypoxia inducible factor and for treating erythropoietin-associated conditions by increasing endogenous erythropoietin in vitro and in vivo.

  本发明涉及适合用于介导缺氧诱导因子和治疗与促红细胞生成素相关疾病的化合物，通过在体外和体内增加内源性促红细胞生成素。