2-(R)-(4-fluoro-2-methyl-phenyl)-4-oxo-3,4-dihydro-2H-pyridine-1-carboxylic acid (1R, 2S, 5R)-2-isopropyl-5-methyl-cyclohexyl ester | 414910-10-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-(R)-(4-fluoro-2-methyl-phenyl)-4-oxo-3,4-dihydro-2H-pyridine-1-carboxylic acid (1R, 2S, 5R)-2-isopropyl-5-methyl-cyclohexyl ester
• 英文别名: 2-(R)(4-Fluoro-2-methyl-phenyl)-4-oxo-3,4-dihydro-2H-pyridine-1-carboxylic acid (1R, 2S, 5R)-2-isopropyl-5-methyl-cyclohexyl ester；[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-(4-fluoro-2-methylphenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate
• CAS: 414910-10-4
• 化学式: C₂₃H₃₀FNO₃
• 分子量: 387.495
• InChiKey: PMCVDZFSDNJASW-GZIQRIHMSA-N

物化性质

• 沸点：
  495.5±45.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(R)-(4-fluoro-2-methyl-phenyl)-4-oxo-3,4-dihydro-2H-pyridine-1-carboxylic acid (1R, 2S, 5R)-2-isopropyl-5-methyl-cyclohexyl ester 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 2-(R)-(4-fluoro-2-methyl-phenyl)-2,3-dihydro-1H-pyridin-4-one
  参考文献：
  名称：

  Chemical compounds

  摘要：

  公式（1）中，R代表卤原子或C1-4烷基；R1代表C1-4烷基；R2代表氢或C1-4烷基；R3代表氢或C1-4烷基；R4代表三氟甲基基团；R5代表氢、C1-4烷基或C(0)R6；R6代表C1-4烷基、C3-7环烷基、NH(C1-4烷基)或N(C1-4烷基)2；m为零或1至3的整数；n为1至3的整数及其药学上可接受的盐和溶剂化合物；以及它们的制备过程和在通过tachykinins介导的疾病治疗中的用途。

  公开号：

  US20040014770A1
• 作为产物：
  描述：

  menthyl chloroformate 、 4-甲氧基吡啶 、 4-氟-2-甲基苯基溴化镁 在 氮 、 盐酸 、 乙酸乙酯 、 Brine 、 Tetrahydrofuran toluene 作用下， 以 四氢呋喃 为溶剂， 反应 1.75h， 生成 2-(R)-(4-fluoro-2-methyl-phenyl)-4-oxo-3,4-dihydro-2H-pyridine-1-carboxylic acid (1R, 2S, 5R)-2-isopropyl-5-methyl-cyclohexyl ester
  参考文献：
  名称：

  Chemical compounds

  摘要：

  本发明提供了一种用于治疗哺乳动物在使用阿片类镇痛药物时出现呕吐的方法。

  公开号：

  US07648990B2

文献信息

• 1,4! - diazepane -1- carboxylic acid derivatives process for their preparation and their use as tachykinin antagonists
  申请人：——

  公开号：US20040127485A1

  公开（公告）日：2004-07-01

  The present invention relates to diazepine derivatives of formula (I) wherein R represents hydrogen or C 1-4 alkyl; R 1 represents hydrogen or C 1-4 alkyl; R 2 represents trifluoromethyl, C 1-4 alkyl, C 1-4 alkoxy, trifluoromethoxy or halogen; R 3 represents halogen or C 1-4 alkyl; R 4 represents hydrogen, halogen, C 1-4 alkyl or COR 6 ; R 5 represents hydrogen, C 1-4 alkyl or R 5 together within the R 1 represents C 3-7 cycloalkyl; R 6 represents hydroxy, amino, methylamino, dimethylamino, 5 membered heteroaryl group containing 1 to 3 heteroatoms selected independently from oxygen, sulphur and nitrogen or a 6 membered heteroaryl group containing 1 to 3 nitrogen atoms; m or n are independently zero or an integer from 1 to 3; X and Y are independently NR 7 or methylene; provided that when X is NR 7 , Y is methylene and when X is methylene, Y is NR 7 ; R 7 represents hydrogen, C 1-4 alkyl or C 3-7 cycloalkyl; and pharmaceutically acceptable salts and solvates thereof; to process for their preparation and their use in the treatment of condition mediated by tachykinins.

  本发明涉及公式（I）的苯二氮平衍生物，其中R代表氢或C1-4烷基；R1代表氢或C1-4烷基；R2代表三氟甲基，C1-4烷基，C1-4烷氧基，三氟甲氧基或卤素；R3代表卤素或C1-4烷基；R4代表氢，卤素，C1-4烷基或COR6；R5代表氢，C1-4烷基或R5与R1一起代表C3-7环烷基；R6代表羟基，氨基，甲基氨基，二甲基氨基，含有1至3个独立选择的氧，硫和氮杂原子的5元杂环芳基基团或含有1至3个氮原子的6元杂环芳基基团；m或n分别为零或1至3的整数；X和Y分别为NR7或亚甲基；但当X为NR7时，Y为亚甲基，当X为亚甲基时，Y为NR7；R7代表氢，C1-4烷基或C3-7环烷基；以及其药学上可接受的盐和溶剂合物；以及它们在治疗由快速激肽调节的疾病中的应用的制备方法。
• Piperidine derivatives
  申请人：Alvaro Giuseppe

  公开号：US20050176715A1

  公开（公告）日：2005-08-11

  The present invention relates to piperidine derivatives of formula (I): R represents halogen or C 1-4 alkyl R 1 represents C 1-4 alkyl; R 2 or R 3 independently represent hydrogen or C 1-4 alkyl; R 4 represents trifluoromethyl, C 1-4 alkyl, C 1-4 alkoxy, trifluoromethoxy or halogen; R 5 represents hydrogen, C 1-4 alkyl or C 3-7 cycloalkyl; R 6 is hydrogen and R 7 is a radical of formula (W): or R 6 is a radical of formula (W) and R 7 is hydrogen; X represents CH 2 , NR 5 or O; Y represents Nitrogen and Z is CH or Y represents CH and Z is Nitrogen; A represents C(O) or S(O)q, provided that when Y is nitrogen and Z is CH, A is not S(O) q ; m is zero or an integer from 1 to 3; n is an integer from 1 to 3; p and q are independently an integer from 1 to 2; and pharmaceutically acceptable salts and solvates thereof. The process for their preparation and their use in the treatment of a condition mediated by tachykinins.

  本发明涉及式（I）的哌啶衍生物：其中，R代表卤素或C1-4烷基，R1代表C1-4烷基，R2或R3独立地代表氢或C1-4烷基，R4代表三氟甲基、C1-4烷基、C1-4烷氧基、三氟甲氧基或卤素，R5代表氢、C1-4烷基或C3-7环烷基，R6为氢，R7为式（W）的基团；或者R6为式（W）的基团，R7为氢；X代表CH2、NR5或O；Y代表氮，Z为CH或Y代表CH，Z为氮；A代表C（O）或S（O）q，但当Y为氮且Z为CH时，A不是S（O）q；m为零或1至3的整数；n为1至3的整数；p和q独立地为1至2的整数；以及其药学上可接受的盐和溶剂化物。其制备过程及其在治疗由速激肽介导的疾病中的应用。
• Tachykinin Antagonists
  申请人：Alvaro Guiseppe

  公开号：US20070135414A1

  公开（公告）日：2007-06-14

  The present invention relates to diazepine derivatives of formula (I) wherein R represents hydrogen or C 1-4 alkyl; R 1 represents hydrogen or C 1-4 alkyl; R 2 represents trifluoromethyl, C 1-4 alkyl, C 1-4 alkoxy, trifluoromethoxy or halogen; R 3 represents halogen or C 1-4 alkyl; R 4 represents hydrogen, halogen, C 1-4 alkyl or COR 6 ; R 5 represents hydrogen, C 1-4 alkyl or R 5 together within the R 1 represents C 3-7 cycloalkyl; R 6 represents hydroxy, amino, methylamino, dimethylamino, 5 membered heteroaryl group containing 1 to 3 heteroatoms selected independently from oxygen, sulphur and nitrogen or a 6 membered heteroaryl group containing 1 to 3 nitrogen atoms; m or n are independently zero or an integer from 1 to 3; X and Y are independently NR 7 or methylene; provided that when X is NR 7 , Y is methylene and when X is methylene, Y is NR 7 ; R 7 represents hydrogen, C 1-4 alkyl or C 3-7 cycloalkyl; and pharmaceutically acceptable salts and solvates thereof; to process for their preparation and their use in the treatment of condition mediated by tachykinins

  本发明涉及式（I）的苯二氮平衍生物，其中：R表示氢或C1-4烷基；R1表示氢或C1-4烷基；R2表示三氟甲基、C1-4烷基、C1-4烷氧基、三氟甲氧基或卤素；R3表示卤素或C1-4烷基；R4表示氢、卤素、C1-4烷基或COR6；R5表示氢、C1-4烷基或R5与R1一起表示C3-7环烷基；R6表示羟基、氨基、甲基氨基、二甲基氨基、含有1-3个杂原子（独立选择自氧、硫和氮）的5元杂环芳基基团或含有1-3个氮原子的6元杂环芳基基团；m或n独立地为零或1-3的整数；X和Y独立地为NR7或亚甲基；但当X为NR7时，Y为亚甲基，当X为亚甲基时，Y为NR7；R7表示氢、C1-4烷基或C3-7环烷基；以及其药学上可接受的盐和溶剂合物；以及制备它们的方法和它们在治疗由速激肽介导的疾病中的应用。
• Piperazinyl piperidine tachykinin antagonists
  申请人：SmithKline Beecham Corporation

  公开号：US07294630B2

  公开（公告）日：2007-11-13

  The present invention provides compounds of formula (I): wherein each R independently represents a halogen atom or a C1-4 alkyl group; R1 represents a C1-4 alkyl group; R2 represents hydrogen or a C1-4 alkyl group; R3 represents hydrogen or C1-4 alkyl group; R4 represents a trifluoromethyl group; R5 represents hydrogen, a C1-4 alkyl group or C(O)R6; R6 represents C1-4 alkyl, C3-7 cycloalkyl, NH(C1-4 alkyl) or N(C1-4alkyl)2; m is zero or an integer from 1 to 3; n is an integer from 1 to 3; or a pharmaceutically acceptable salt or solvate thereof; compositions containing the same, processes for their preparation and methods for their use in the treatment of conditions mediated by tachykinins.

  本发明提供了式（I）的化合物： 其中每个R独立地表示卤素原子或C1-4烷基基团；R1表示C1-4烷基基团；R2表示氢或C1-4烷基基团；R3表示氢或C1-4烷基基团；R4表示三氟甲基基团；R5表示氢，C1-4烷基基团或C（O）R6；R6表示C1-4烷基，C3-7环烷基，NH（C1-4烷基）或N（C1-4烷基）2；m为零或1至3的整数；n为1至3的整数；或其药学上可接受的盐或溶剂；包含其的组合物、其制备的方法以及用于治疗由快速肽介导的疾病的方法。
• Tachykinin antagonists
  申请人：Glaxo Group Limited

  公开号：US07196077B2

  公开（公告）日：2007-03-27

  The present invention relates to diazepine derivatives of formula (I) wherein R represents hydrogen or C1-4 alkyl; R1 represents hydrogen or C1-4 alkyl; R2 represents trifluoromethyl, C1-4 alkyl, C1-4 alkoxy, trifluoromethoxy or halogen; R3 represents halogen or C1-4 alkyl; R4 represents hydrogen, halogen, C1-4 alkyl or COR6; R5 represents hydrogen, C1-4 alkyl or R5 together within the R1 represents C3-7 cycloalkyl; R6 represents hydroxy, amino, methylamino, dimethylamino, 5 membered heteroaryl group containing 1 to 3 heteroatoms selected independently from oxygen, sulphur and nitrogen or a 6 membered heteroaryl group containing 1 to 3 nitrogen atoms; m or n are independently zero or an integer from 1 to 3; X and Y are independently NR7 or methylene; provided that when X is NR7, Y is methylene and when X is methylene, Y is NR7; R7 represents hydrogen, C1-4 alkyl or C3-7 cycloalkyl; and pharmaceutically acceptable salts and solvates thereof; to process for their preparation and their use in the treatment of condition mediated by tachykinins.

  本发明涉及公式（I）的二氮杂环衍生物， 其中， R代表氢或C1-4烷基； R1代表氢或C1-4烷基； R2代表三氟甲基，C1-4烷基，C1-4烷氧基，三氟甲氧基或卤素； R3代表卤素或C1-4烷基； R4代表氢，卤素，C1-4烷基或COR6； R5代表氢，C1-4烷基或R5与R1一起代表C3-7环烷基； R6代表羟基，氨基，甲基氨基，二甲基氨基，含有1-3个独立选择的氧、硫和氮杂原子的5元杂环基团或含有1-3个氮原子的6元杂环基团； m或n独立地为0或1-3的整数； X和Y独立地为NR7或亚甲基； 但当X为NR7时，Y为亚甲基，当X为亚甲基时，Y为NR7； R7代表氢，C1-4烷基或C3-7环烷基； 以及它们的药学上可接受的盐和溶剂合物；以及用于治疗由速激肽介导的病症的制备方法和用途。