4-Cyclohexyl-l-ethyl-7-methylpyrido[2,3-d]pyrimidin-2(1H)-one | 191219-86-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 4-Cyclohexyl-l-ethyl-7-methylpyrido[2,3-d]pyrimidin-2(1H)-one
• 英文别名: Pyrido[2,3-d]pyrimidin-2(1H)-one, 4-cyclohexyl-1-ethyl-7-methyl-；4-cyclohexyl-1-ethyl-7-methylpyrido[2,3-d]pyrimidin-2-one
• CAS: 191219-86-0
• 化学式: C₁₆H₂₁N₃O
• 分子量: 271.362
• InChiKey: AFORUUDXYIKHFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  45.6
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• PYRIDO [2,3-D] PYRIMIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF
  申请人：YAMANOUCHI PHARMACEUTICAL CO., LTD.

  公开号：EP0885894A1

  公开（公告）日：1998-12-23

  Compounds represented by general formula (I) or pharmaceutically acceptable salts thereof which have the effect of inhibiting the activity of type IV phosphodiesterases and are usable as drugs, in particular, type IV phosphodiesterase inhibitors or preventives and remedies for diseases in association with the sthenic type IV phosphodiesterase activity, in particular, respiratory diseases such as bronchial asthma. In said formula (I), X represents oxygen or sulfur; R1 represents lower alkyl, cycloalkyl(lower alkyl) or cycloalkyl; R2 represents hydrogen, halogeno, lower alkyl, halo(lower alkyl), hydroxy(lower alkyl), mercapto(lower alkyl), (lower alkoxy)(lower alkyl), (lower alkylthio)(lower alkyl), (lower alkanoyloxy)(lower alkyl), (lower alkanoylthio)(lower alkyl), (lower alkanoyl)(lower alkyl), hydroxyimino(lower alkyl), (lower alkoxyimino)(lower alkyl), cycloalkyl, aryl or lower alkanoyl; R3 represents hydrogen, halogeno or lower alkyl; R4 represents hydrogen, or lower alkyl; R5 represents cycloalkyl optionally substituted by the same group as R6; naphthyl optionally substituted by the same group as R6 a 5- or 6-membered monocyclic heterocycle optionally substituted by the same group as R6, optionally fused with a benzene ring and having one to four heteroatoms selected from the group consisting of nitrogen, oxygen and sulfur atoms; or a group of formula (a); and R6 represents halogeno, lower alkyl, halo(lower alkyl), hydroxy, lower alkoxy, cyano or nitro.

  由通式(I)代表的化合物或其药学上可接受的盐，具有抑制IV型磷酸二酯酶活性的作用，可用作药物，特别是IV型磷酸二酯酶抑制剂或预防和治疗与sthenic IV型磷酸二酯酶活性有关的疾病，特别是呼吸系统疾病，如支气管哮喘。在所述式（I）中，X 代表氧或硫；R1 代表低级烷基、环烷基（低级烷基）或环烷基；R2 代表氢、卤素、低级烷基、卤代（低级烷基）、羟基（低级烷基）、巯基（低级烷基）、（低级烷氧基）（低级烷基）、（低级烷硫基）（低级烷基）、（低级烷酰氧基）（低级烷基）、（低级烷酰硫基）（低级烷基）、（低级烷酰基）（低级烷基）、羟基亚氨基（低级烷基）、（低级烷氧基亚氨基）（低级烷基）、环烷基、芳基或低级烷酰基；R3 代表氢、卤素或低级烷基；R4 代表氢或低级烷基；R5 代表环烷基，可任选被与 R6 相同的基团取代；萘基，可任选被与 R6 相同的基团取代；5 或 6 元单环杂环，可任选被与 R6 相同的基团取代，可任选与苯环融合，并具有一至四个杂原子，这些杂原子选自由氮、氧和硫原子组成的组；或式 (a) 的基团；以及 R6 代表卤素、低级烷基、卤代（低级烷基）、羟基、低级烷氧基、氰基或硝基。
• CANINE CYP1A2 GENE POLYMORPHISM
  申请人：Astellas Pharma Inc.

  公开号：EP1672069A1

  公开（公告）日：2006-06-21

  Disclosed is a method for determining whether a dog is an extensive metabolizer or a poor metabolizer in the rate of drug metabolism, by preparing a DNA sample from a dog, and determining a base corresponding to a base at position 1117 of a canine CYP1A2 gene (i.e., at position 87 of exon 4). According to the method, a CYP1A2 gene diagnosis of dogs (particularly beagles) used in a pharmacological effect test or a toxicity test can be rapidly carried out prior to the test, and thus the dogs can be easily divided into a group having a normal metabolic ability (an extensive metabolizer group) and a group having a low metabolic ability (a poor metabolizer group).

  本发明公开了一种方法，通过制备狗的 DNA 样品，确定狗 CYP1A2 基因 1117 位（即第 4 号外显子 87 位）上的碱基。根据该方法，可以在药理效应试验或毒性试验前快速对用于该试验的狗（特别是小猎犬）进行 CYP1A2 基因诊断，从而可以很容易地将狗分为代谢能力正常组（代谢能力强组）和代谢能力弱组（代谢能力差组）。
• Canine cyp1a2 genetic polymorphism
  申请人：Tenmizu Daisuke

  公开号：US20060051766A1

  公开（公告）日：2006-03-09

  Disclosed is a method for determining whether a dog is an extensive metabolizer or a poor metabolizer in the rate of drug metabolism, by preparing a DNA sample from a dog, and determining a base corresponding to a base at position 1117 of a canine CYP1A2 gene (i.e., at position 87 of exon 4). According to the method, a CYP1A2 gene diagnosis of dogs (particularly beagles) used in a pharmacological effect test or a toxicity test can be rapidly carried out prior to the test, and thus the dogs can be easily divided into a group having a normal metabolic ability (an extensive metabolizer group) and a group having a low metabolic ability (a poor metabolizer group).

  本发明公开了一种方法，通过制备狗的 DNA 样品，确定狗 CYP1A2 基因 1117 位（即第 4 号外显子 87 位）上的碱基。根据该方法，可以在药理效应试验或毒性试验前快速对用于该试验的狗（特别是小猎犬）进行 CYP1A2 基因诊断，从而可以很容易地将狗分为代谢能力正常组（代谢能力强组）和代谢能力弱组（代谢能力差组）。
• US6136810A
  申请人：——

  公开号：US6136810A

  公开（公告）日：2000-10-24
• US7399587B2
  申请人：——

  公开号：US7399587B2

  公开（公告）日：2008-07-15