5-[3-(3-acetylphenyl)-1-[4-(morpholin-4-yl)butyl]ureidomethyl]-N-(2-t-butoxycarbonylaminophenyl)pyridine-2-carboxylic acid amide | 1064003-26-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-[3-(3-acetylphenyl)-1-[4-(morpholin-4-yl)butyl]ureidomethyl]-N-(2-t-butoxycarbonylaminophenyl)pyridine-2-carboxylic acid amide
• 英文别名: tert-butyl N-[2-[[5-[[(3-acetylphenyl)carbamoyl-(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
• CAS: 1064003-26-4
• 化学式: C₃₅H₄₄N₆O₆
• 分子量: 644.771
• InChiKey: ZNRXOMHFBAFSNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  47
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  142
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT
  申请人：Yoneda Shinji

  公开号：US20100056522A1

  公开（公告）日：2010-03-04

  An object of the present invention is to find a novel pharmacological effect of a compound having an HDAC inhibitory effect. The compound having an HDAC inhibitory effect of the invention has an excellent effect of cell morphological change on trabecular meshwork cells and/or effect of intraocular pressure reduction, and is therefore useful as a preventive and/or therapeutic agent for a disease considered to be associated with aqueous humor circulation and/or intraocular pressure, particularly as a preventive and/or therapeutic agent for glaucoma or ocular hypertension.

  本发明的目的是发现一种具有HDAC抑制作用的化合物的新药理作用。本发明中具有HDAC抑制作用的化合物在小梁网细胞的细胞形态改变和/或眼内压降低方面具有优异的效果，因此可作为预防和/或治疗与房水循环和/或眼内压有关的疾病的药物，特别是作为青光眼或眼压增高的预防和/或治疗药物。
• NOVEL PYRIDINECARBOXYLIC ACID (2-AMINOPHENYL) AMIDE DERIVATIVE HAVING UREA STRUCTURE
  申请人：Mogi Hiroyuki

  公开号：US20100063045A1

  公开（公告）日：2010-03-11

  Objects of the present invention are to study the synthesis of a novel pyridinecarboxylic acid (2-aminophenyl)amide derivative having a novel urea structure and to find a pharmacological effect of the derivative. The invention provides a compound represented by the formula (1) or a salt thereof. In the formula, R 1 and R 2 represent a hydrogen atom, a lower alkyl group or the like; R 3 represents a hydroxy group, a lower alkoxy group, a lower cycloalkyloxy group, an aryloxy group, a carboxy group, a lower alkoxycarbonyl group, —OCONR a R b , —NR c R d or the like; R 4 and R 5 represent a halogen atom, a lower alkyl group, a hydroxy group, a lower alkoxy group or the like; R a and R b represent a hydrogen atom, a lower alkyl group, a lower cycloalkyl group, an aryl group, a heterocyclic group or the like; R c and R d represent a hydrogen atom, a lower alkyl group, a lower cycloalkyl group, an aryl group or the like; X represents a lower alkylene group; Y represents a single bond, a lower alkylene group; W 1 -W 2 represents N—C or C—N; and l and m represent 0, 1, 2 or 3.

  本发明的目的是研究一种具有新型脲结构的吡啶羧酸（2-氨基苯基）酰胺衍生物的合成，并找到该衍生物的药理作用。该发明提供了由式（1）或其盐所表示的化合物。在该式中，R1和R2表示氢原子、低碳基或类似物；R3表示羟基、低烷氧基、低环烷氧基、芳氧基、羧基、低烷氧羰基、-OCONRaRb、-NRcRd或类似物；R4和R5表示卤素原子、低碳基、羟基、低烷氧基或类似物；Ra和Rb表示氢原子、低碳基、低环烷基、芳基、杂环基或类似物；Rc和Rd表示氢原子、低碳基、低环烷基、芳基或类似物；X表示低碳烷基；Y表示单键、低碳烷基；W1-W2表示N-C或C-N；l和m表示0、1、2或3。
• NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE
  申请人：Santen Pharmaceutical Co., Ltd

  公开号：EP2133339A1

  公开（公告）日：2009-12-16

  Objects of the present invention are to study the synthesis of a novel pyridinecarboxylic acid (2-aminophenyl)amide derivative having a novel urea structure and to find a pharmacological effect of the derivative. The invention provides a compound represented by the formula (1) or a salt thereof. In the formula, R1 and R2 represent a hydrogen atom, a lower alkyl group or the like; R3 represents a hydroxy group, a lower alkoxy group, a lower cycloalkyloxy group, an aryloxy group, a carboxy group, a lower alkoxycarbonyl group, -OCONRaRb, -NRcRd or the like; R4 and R5 represent a halogen atom, a lower alkyl group, a hydroxy group, a lower alkoxy group or the like; Ra and Rb represent a hydrogen atom, a lower alkyl group, a lower cycloalkyl group, an aryl group, a heterocyclic group or the like; Rc and Rd represent a hydrogen atom, a lower alkyl group, a lower cycloalkyl group, an aryl group or the like; X represents a lower alkylene group; Y represents a single bond, a lower alkylene group; W1-W2 represents N-C or C-N; and l and m represent 0, 1, 2 or 3.

  本发明的目的是研究具有新型脲结构的新型吡啶羧酸（2-氨基苯基）酰胺衍生物的合成，并寻找该衍生物的药理作用。本发明提供了一种由式（1）代表的化合物或其盐。式中，R1 和 R2 代表氢原子、低级烷基或类似物；R3 代表羟基、低级烷氧基、低级环烷氧基、芳氧基、羧基、低级烷氧基羰基、-OCONRaRb、-NRcRd 或类似物；R4 和 R5 代表卤素原子、低级烷基、羟基、低级烷氧基或类似物；Ra 和 Rb 代表氢原子、低级烷基、低级环烷基、芳基、杂环基等；Rc 和 Rd 代表氢原子、低级烷基、低级环烷基、芳基等；X 代表低级亚烷基；Y 代表单键、低级亚烷基；W1-W2 代表 N-C 或 C-N；l 和 m 代表 0、1、2 或 3。
• OCULAR HYPOTENSIVE AGENT COMPRISING COMPOUND CAPABLE OF INHIBITING HISTONE DEACETYLASE AS ACTIVE INGREDIENT
  申请人：Santen Pharmaceutical Co., Ltd

  公开号：EP2135620A1

  公开（公告）日：2009-12-23

  An object of the present invention is to find a novel pharmacological effect of a compound having an HDAC inhibitory effect. The compound having an HDAC inhibitory effect of the invention has an excellent effect of cell morphological change on trabecular meshwork cells and/or effect of intraocular pressure reduction, and is therefore useful as a preventive and/or therapeutic agent for a disease considered to be associated with aqueous humor circulation and/or intraocular pressure, particularly as a preventive and/or therapeutic agent for glaucoma or ocular hypertension.

  本发明的目的是找到一种具有 HDAC 抑制作用的化合物的新型药理作用。本发明的具有 HDAC 抑制作用的化合物对小梁网细胞的细胞形态变化和/或降低眼内压效果极佳，因此可作为预防和/或治疗被认为与房水循环和/或眼内压有关的疾病的药物，特别是作为青光眼或眼压过高的预防和/或治疗药物。
• US8012972B2
  申请人：——

  公开号：US8012972B2

  公开（公告）日：2011-09-06