7-(2-hydroxy-2-phenyl-ethylcarbamoyl)-heptanoic acid methyl ester | 406726-57-6

• 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: 7-(2-hydroxy-2-phenyl-ethylcarbamoyl)-heptanoic acid methyl ester
• 英文别名: 7-(2-Hydroxy-2-phenylethylcarbamoyl)heptanoic acid methyl ester；methyl 8-[(2-hydroxy-2-phenylethyl)amino]-8-oxooctanoate
• CAS: 406726-57-6
• 化学式: C₁₇H₂₅NO₄
• 分子量: 307.39
• InChiKey: ANPQFIMPPYLNRE-UHFFFAOYSA-N

物化性质

• 沸点：
  509.6±50.0 °C(Predicted)
• 密度：
  1.103±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  22
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-(2-hydroxy-2-phenyl-ethylcarbamoyl)-heptanoic acid methyl ester 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以72%的产率得到7-(2-oxo-2-phenylethylcarbamoyl)heptanoic acid methyl ester
  参考文献：
  名称：

  [EN] COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE
  [FR] COMPOSES, PROCEDES ET PREPARATIONS DESTINES A L'APPORT ORAL D'UN COMPOSE PEPTIDIQUE DE TYPE GLUCAGON (GLP-1) OU D'UN PEPTIDE AGONISTE DU RECEPTEUR 4 DE MELANOCORTINE (MC4)

  摘要：

  本发明涉及用于口服给荷GLP-1化合物或MC4激动剂肽的新化合物、方法和配方。

  公开号：

  WO2005019184A1
• 作为产物：
  描述：

  辛二酸单甲酯 、 2-氨基-1-苯乙醇 在 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以91%的产率得到7-(2-hydroxy-2-phenyl-ethylcarbamoyl)-heptanoic acid methyl ester
  参考文献：
  名称：

  [EN] COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE
  [FR] COMPOSES, PROCEDES ET PREPARATIONS DESTINES A L'APPORT ORAL D'UN COMPOSE PEPTIDIQUE DE TYPE GLUCAGON (GLP-1) OU D'UN PEPTIDE AGONISTE DU RECEPTEUR 4 DE MELANOCORTINE (MC4)

  摘要：

  本发明涉及用于口服给荷GLP-1化合物或MC4激动剂肽的新化合物、方法和配方。

  公开号：

  WO2005019184A1

文献信息

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

  公开号：US20040092598A1

  公开（公告）日：2004-05-13

  This invention pertains to certain active carbamic acid compounds which inhibit HDAC activity and which have the formula (1) wherein: A is an aryl group; Q1 is an aryl leader group having a backbone of at least 2 carbon atoms; J is an amide linkage selected from: —NR1C(═O)—and —C(═O)NR1—; R1 is an amido substituent; and, Q2 is an acid leader 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.

  这项发明涉及抑制HDAC活性的某些活性碳酸酰胺化合物，其化学式为（1），其中：A是芳基；Q1是至少有2个碳原子骨架的芳基前导基团；J是选择自以下的酰胺键：—NR1C(═O)—和—C(═O)NR1—；R1是酰胺取代基；Q2是酸前导基团；以及其药学上可接受的盐、溶剂化合物、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药物组合物，以及在体外和体内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。
• Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide
  申请人：Herr Robert Jason

  公开号：US20080214448A1

  公开（公告）日：2008-09-04

  The present invention relates to novel compounds, methods, and formulations useful for the oral delivery of a GLP-1 compound or an MC4 agonist peptide.

  本发明涉及一种新型化合物、方法和配方，用于口服给药GLP-1化合物或MC4激动剂肽。
• COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MC4) AGONIST PEPTIDE
  申请人：HERR Robert Jason

  公开号：US20100120876A1

  公开（公告）日：2010-05-13

  The present invention relates to novel compounds, methods, and formulations useful for the oral delivery of a GLP-1 compound or an MC4 agonist peptide.

  本发明涉及一种新型化合物、方法和配方，用于口服给药GLP-1化合物或MC4激动剂肽。
• CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS
  申请人：Watkins Clare J.

  公开号：US20110105572A1

  公开（公告）日：2011-05-05

  This invention pertains to certain active carbamic acid compounds which inhibit HDAC activity and which have the following formula: wherein: A is a C 5-20 heteroaryl or C 5-20 carboaryl group and is optionally substituted; Q 1 is a C 2-7 alkylene group having a backbone of at least 2 carbon atoms, and is optionally substituted; J is —N(R 1 )C(═O)— or —C(═O)N(R 1 )—; R 1 is hydrogen, C 1-7 alkyl, C 3-20 heterocyclyl, or C 5-20 aryl; and, Q 2 is C 1-7 alkylene, C 5-20 arylene, C 5-20 arylene-C 1-7 alkylene, or C 1-7 alkylene-C 5-20 arylene having a backbone of at least 3 carbon atoms, and is optionally substituted; and pharmaceutically acceptable salts 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 treat proliferative conditions, such as cancer and psoriasis.

  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：其中：A是C5-20杂环芳基或C5-20羰基芳基基团，并可选择性地取代；Q1是具有至少2个碳原子的C2-7烷基链，可选择性地取代；J是-N（R1）C（═O）-或-C（═O）N（R1）-；R1是氢，C1-7烷基，C3-20杂环芳基或C5-20芳基；Q2是具有至少3个碳原子的C1-7烷基链，C5-20芳基链，C5-20芳基链-C1-7烷基链，或C1-7烷基链-C5-20芳基链，并可选择性地取代；以及其药学上可接受的盐。本发明还涉及包含这种化合物的制药组合物，以及使用这种化合物和组合物在体内外抑制HDAC，例如治疗增殖性疾病，如癌症和牛皮癣。
• Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP-1) compound or a melanocortin-4 receptor (MC4) agonist peptide
  申请人：Herr Robert Jason

  公开号：US08552039B2

  公开（公告）日：2013-10-08

  The present invention relates to novel compounds, methods, and formulations useful for the oral delivery of a GLP-1 compound or an MC4 agonist peptide.

  本发明涉及一种新型化合物、方法和制剂，用于口服给药GLP-1化合物或MC4激动剂肽。