(E)-N-{3-[2-(Hydroxyamino)-2-oxoethoxy]phenyl}-3-phenyl-2-propenamide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-N-{3-[2-(Hydroxyamino)-2-oxoethoxy]phenyl}-3-phenyl-2-propenamide
• 英文别名: (E)-N-[3-[2-(hydroxyamino)-2-oxoethoxy]phenyl]-3-phenylprop-2-enamide
• 化学式: C₁₇H₁₆N₂O₄
• 分子量: 312.32
• InChiKey: HLQVEFRCYPSRPO-MDZDMXLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  87.7
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  [3-(3-Phenyl-acryloylamino)-phenoxy]-acetic acid 、 三乙胺 、 氯甲酸异丁酯 、 盐酸羟胺 、 sodium methylate 在 乙酸乙酯 、 potassium dihydrogenphosphate 、 水 、 Brine 、 Sodium sulfate-III 、 乙醚 作用下， 以 四氢呋喃 为溶剂， 反应 7.33h， 以to give the title compound (0.090 g, 30%)的产率得到(E)-N-{3-[2-(Hydroxyamino)-2-oxoethoxy]phenyl}-3-phenyl-2-propenamide
  参考文献：
  名称：

  Carbamic acid compounds comprising an ether linkage as HDAC inhibitors

  摘要：

  本发明涉及一些活性碳酸酰化合物，其抑制HDAC活性，其化学式如下： 其中：A是芳基基团；Q1是一个共价键或芳基领导基团；J是从以下选择的酰胺键：-NR1C（═O）-和-C（═O）NR1-；R1是一个酰胺取代基；X是一个醚杂原子，且为-O-或-S-；R2和R3各自独立地为醚基团；以及其药学上可接受的盐、溶剂化物、酰胺、酯、醚、化学保护形式和前药。本发明还涉及包含这种化合物的制药组合物，以及在体内外使用这种化合物和组合物来抑制HDAC，例如抑制增殖性疾病，如癌症和牛皮癣。

  公开号：

  US06960685B2

文献信息

• Carbamic acid compounds comprising an ether linkage as hdac inhibitors
  申请人：——

  公开号：US20040198830A1

  公开（公告）日：2004-10-07

  This invention pertains to certain active carbamic acid compounds which inhibit HDAC activity and which have the following formula(l) wherein: A is an aryl group; Q 1 is a covalent bond or an aryl leader group; J is an amide linkage selected from: —NR 1 C(═O)— and —C(═O)NR 1 —; R 1 is an amido substituent; X is an ether heteroatom, and is —O— or —S—; and, R 2 and R 3 are each independently an ether group; and pharmaceutically acceptable salts, solvates, amides, esters, ether chemically protected forms, and prodrugs thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC, and, e.g., to inhibit proliferative conditions, such as cancer and psoriasis. 1

  本发明涉及某些活性碳酰胺酸化合物，其抑制HDAC活性，并具有以下公式（l）： 其中：A是芳基基团；Q1是共价键或芳基引领基团；J是选择自以下的酰胺连接：—NR1C(═O)—和—C(═O)NR1—；R1是酰胺取代基；X是醚杂原子，且为—O—或—S—；R2和R3各自独立地是醚基；以及其药学上可接受的盐、溶剂化物、酰胺、酯、醚化学保护形式和前药。本发明还涉及包括这种化合物的药物组合物，以及使用这种化合物和组合物来抑制HDAC，例如抑制增生性疾病，如癌症和银屑病，无论在体内还是体外。
• US6960685B2
  申请人：——

  公开号：US6960685B2

  公开（公告）日：2005-11-01
• [EN] CARBAMIC ACID COMPOUNDS COMPRISING AN ETHER LINKAGE AS HDAC INHIBITORS<br/>[FR] COMPOSES D'ACIDE CARBAMIQUE COMPRENANT UNE LIAISON ETHER ET UTILES EN TANT QU'INHIBITEURS DE HDAC
  申请人：PROLIFIX LTD

  公开号：WO2002026703A1

  公开（公告）日：2002-04-04

  This invention pertains to certain active carbamic acid compounds which inhibit HDAC activity and which have the following formula(I) wherein: A is an aryl group; Q1 is a covalent bond or an aryl leader group; J is an amide linkage selected from: -NR1C(=O)- and -C(=O)NR1-; R1 is an amido substituent; X is an ether heteroatom, and is -O- or -S-; and, R?2 and R3¿ are each independently an ether group; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, chemically protected forms, and prodrugs thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC, and, e.g., to inhibit proliferative conditions, such as cancer and psoriasis.
• Carbamic acid compounds comprising an ether linkage as HDAC inhibitors
  申请人：Watkins Clare J

  公开号：US06960685B2

  公开（公告）日：2005-11-01

  This invention pertains to certain active carbamic acid compounds which inhibit HDAC activity and which have the following formula: wherein: A is an aryl group; Q 1 is a covalent bond or an aryl leader group; J is an amide linkage selected from: —NR 1 C(═O)— and —C(═O)NR 1 —; R 1 is an amido substituent; X is an ether heteroatom, and is —O— or —S—; and, R 2 and R 3 are each independently an ether group; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, chemically protected forms, and prodrugs thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC, and, e.g., to inhibit proliferative conditions, such as cancer and psoriasis.

  本发明涉及一些活性碳酸酰化合物，其抑制HDAC活性，其化学式如下： 其中：A是芳基基团；Q1是一个共价键或芳基领导基团；J是从以下选择的酰胺键：-NR1C（═O）-和-C（═O）NR1-；R1是一个酰胺取代基；X是一个醚杂原子，且为-O-或-S-；R2和R3各自独立地为醚基团；以及其药学上可接受的盐、溶剂化物、酰胺、酯、醚、化学保护形式和前药。本发明还涉及包含这种化合物的制药组合物，以及在体内外使用这种化合物和组合物来抑制HDAC，例如抑制增殖性疾病，如癌症和牛皮癣。