2,2,2-trifluoro-N-[1,2,3,4,10,14b-hexahydro-10-methyl-8-(pyridin-2-yl)dibenzo[c,f]pyrido[1,2-a]azepin-2-yl]acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 2,2,2-trifluoro-N-[1,2,3,4,10,14b-hexahydro-10-methyl-8-(pyridin-2-yl)dibenzo[c,f]pyrido[1,2-a]azepin-2-yl]acetamide
• 英文别名: Rel-2,2,2-trifluoro-n-[(2r,10r,14br)-1,2,3,4,10,14b-hexahydro-10-methyl-8-(pyridin-2-yl)dibenzo[c,f]pyrido[1,2-a]azepin-2-yl]acetamide；2,2,2-trifluoro-N-[(5R,7R,14R)-14-methyl-17-pyridin-2-yl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]acetamide
• 化学式: C₂₆H₂₄F₃N₃O
• 分子量: 451.491
• InChiKey: STYOLTPGVXLKFO-BUKPSGGLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  33
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  45.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-溴吡啶 、 在 bis-triphenylphosphine-palladium(II) chloride potassium phosphate 、 三苯胂 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以18%的产率得到2,2,2-trifluoro-N-[1,2,3,4,10,14b-hexahydro-10-methyl-8-(pyridin-2-yl)dibenzo[c,f]pyrido[1,2-a]azepin-2-yl]acetamide
  参考文献：
  名称：

  WO2007/25938

  摘要：

  公开号：

文献信息

• Non-Steroidal Compounds Useful as Glucocorticoid Receptor Modulators
  申请人：Plate Ralf

  公开号：US20080188459A1

  公开（公告）日：2008-08-07

  This invention relates to novel amino acid derivatives of formula (I) wherein the R groups have the following meanings: —R 1 is —H or -(1-4C)alkyl; —R 2 is —C(O)R 15 or —S(O) 2 R 15 ; —R 3 is —H, -(1-4C)alkyl or —OR 16 ; —R 4 is —H, -(1-4C)alkyl or —OR 16 ; —R 6 is —H or —C(R 16 )NOR 16 ; —R 7 is —H, -halogen, -cyano; -(1-6C)alkyl, -(2-6C)alkenyl or -(2-6C)alkynyl, all optionally substituted with -amino, -hydroxyl or -halogen; —R 8 is —H, -cyano, -halogen, -nitro; -(1-6C)alkyl, -(2-6C)alkenyl, -(2-6C)alkynyl or —O(1-6C)alkyl, all optionally substituted with -amino, -hydroxyl or -halogen; -(hetero)aryl, optionally substituted with -cyano, -halogen, -(1-4C)alkyl, -(1-4C)alkoxy, -(1-4C)alkoxy(1-4C)alkyl or -(hetero)aryl; —C(R 16 )NOR 16 ; —C(O)N(R 17 ) 2 ; —C(O)R18, —C(O)OR 19 , —NHC(O)R 20 , or —NHS(O) 2 R 21 ; —R 9 is —H, -halogen, -cyano, or -(1-4C)alkyl, optionally substituted with -halogen; —R 10 is —H or -(1-4C)alkyl; —R 11 is —H; —R 12 is —H, -cyano or -(1-4C)alkyl; —R 13 is —H, -(1-4C)alkyl, -halogen or -formyl; —R 14 is —H, -halogen, -cyano, -(1-4C)alkyl or -(hetero)aryl; or a pharmaceutically acceptable salt thereof. The compounds of this invention are highly specific for the glucocorticoid receptor and may be used for treating inflammatory diseases.

  本发明涉及公式（I）的新型氨基酸衍生物，其中R基的含义如下：-R1为-H或-(1-4C)烷基；-R2为-C（O）R15或-S（O）2R15；-R3为-H，-(1-4C)烷基或-OR16；-R4为-H，-(1-4C)烷基或-OR16；-R6为-H或-C（R16）NOR16；-R7为-H，-卤素，-氰基；-(1-6C)烷基，-(2-6C)烯基或-(2-6C)炔基，均可选择地取代-氨基，-羟基或-卤素；-R8为-H，-氰基，-卤素，-硝基；-(1-6C)烷基，-(2-6C)烯基，-(2-6C)炔基或-O（1-6C）烷基，均可选择地取代-氨基，-羟基或-卤素；-(杂)芳基，可选择地取代-氰基，-卤素，-(1-4C)烷基，-(1-4C)烷氧基，-(1-4C)烷氧基（1-4C）烷基或-(杂)芳基；-C（R16）NOR16；-C（O）N（R17）2；-C（O）R18，-C（O）OR19，-NHC（O）R20或-NHS（O）2R21；-R9为-H，-卤素，-氰基或-(1-4C)烷基，可选择地取代-卤素；-R10为-H或-(1-4C)烷基；-R11为-H；-R12为-H，-氰基或-(1-4C)烷基；-R13为-H，-(1-4C)烷基，-卤素或-甲酰基；-R14为-H，-卤素，-氰基，-(1-4C)烷基或-(杂)芳基；或其药学上可接受的盐。本发明的化合物对糖皮质激素受体具有高度特异性，可用于治疗炎症性疾病。
• Non-steroidal compounds useful as glucocorticoid receptor modulators
  申请人：Plate Ralf

  公开号：US08575152B2

  公开（公告）日：2013-11-05

  This invention relates to novel amino acid derivatives of formula (I) wherein the R groups have the following meanings: —R1 is —H or —(1-4C)alkyl; —R2 is —C(O)R15 or —S(O)2R15; —R3 is —H, —(1-4C)alkyl or —OR16; —R4 is —H, —(1-4C)alkyl or —OR16; —R6 is —H or —C(R16)NOR16; —R7 is —H, -halogen, -cyano; —(1-6C)alkyl, —(2-6C)alkenyl or —(2-6C)alkynyl, all optionally substituted with -amino, -hydroxyl or -halogen; —R8 is —H, -cyano, -halogen, -nitro; —(1-6C)alkyl, —(2-6C)alkenyl, —(2-6C)alkynyl or —O(1-6C)alkyl, all optionally substituted with -amino, -hydroxyl or -halogen; -(hetero)aryl, optionally substituted with -cyano, -halogen, —(1-4C)alkyl, —(1-4C)alkoxy, —(1-4C)alkoxy(1-4C)alkyl or -(hetero)aryl; —C(R16)NOR16; —C(O)N(R17)2; —C(O)R18, —C(O)OR19, —NHC(O)R20, or —NHS(O)2R21; —R9 is —H, -halogen, -cyano, or —(1-4C)alkyl, optionally substituted with -halogen; —R10 is —H or —(1-4C)alkyl; —R11 is —H; —R12 is —H, -cyano or —(1-4C)alkyl; —R13 is —H, —(1-4C)alkyl, -halogen or -formyl; —R14 is —H, -halogen, -cyano, —(1-4C)alkyl or -(hetero)aryl; or a pharmaceutically acceptable salt thereof. The compounds of this invention are highly specific for the glucocorticoid receptor and may be used for treating inflammatory diseases.

  本发明涉及公式（I）的新型氨基酸衍生物，其中R基有以下含义：-R1为-H或-（1-4C）烷基；-R2为-C（O）R15或-S（O）2R15；-R3为-H，-（1-4C）烷基或-OR16；-R4为-H，-（1-4C）烷基或-OR16；-R6为-H或-C（R16）NOR16；-R7为-H，-卤素，-氰基；-（1-6C）烷基，-（2-6C）烯基或-（2-6C）炔基，均可选择性地被氨基，-羟基或-卤素取代；-R8为-H，-氰基，-卤素，-硝基；-（1-6C）烷基，-（2-6C）烯基，-（2-6C）炔基或-O（1-6C）烷基，均可选择性地被氨基，-羟基或-卤素取代；-（杂）芳基，可选择性地被氰基，-卤素，-（1-4C）烷基，-（1-4C）烷氧基，-（1-4C）烷氧基（1-4C）烷基或-（杂）芳基取代；-C（R16）NOR16；-C（O）N（R17）2；-C（O）R18，-C（O）OR19，-NHC（O）R20或-NHS（O）2R21；-R9为-H，-卤素，-氰基或-（1-4C）烷基，可选择性地被-卤素取代；-R10为-H或-（1-4C）烷基；-R11为-H；-R12为-H，-氰基或-（1-4C）烷基；-R13为-H，-（1-4C）烷基，-卤素或-甲酰基；-R14为-H，-卤素，-氰基，-（1-4C）烷基或-（杂）芳基；或其药学上可接受的盐。本发明的化合物对糖皮质激素受体具有高度特异性，可用于治疗炎症性疾病。
• NON-STEROIDAL COMPOUNDS USEFUL AS GLUCOCORTICOID RECEPTOR MODULATORS
  申请人：N.V. Organon

  公开号：EP1924580B1

  公开（公告）日：2009-01-21
• US8575152B2
  申请人：——

  公开号：US8575152B2

  公开（公告）日：2013-11-05
• WO2007/25938
  申请人：——

  公开号：——

  公开（公告）日：——