3-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]-oxazin-6-yl)-4-fluoro-phenylacetonitrile | 305839-75-2

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]-oxazin-6-yl)-4-fluoro-phenylacetonitrile
• 英文别名: 2-[3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-4-fluorophenyl]acetonitrile
• CAS: 305839-75-2
• 化学式: C₁₈H₁₅FN₂O₂
• 分子量: 310.328
• InChiKey: YYYDOHPSIISMSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  62.1
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Cyclocarbamate derivatives as progesterone receptor modulators
  申请人：——

  公开号：US20020049204A1

  公开（公告）日：2002-04-25

  This invention provides compounds of Formula (I): 1 wherein R 1 and R 2 may be single substituents or fused to form spirocyclic or hetero-spirocyclic rings; R 3 is H, OH, NH 2 , C 1 to C 6 alkyl, substituted C 1 to C 6 alkyl, C 3 to C 6 alkenyl, substituted C 1 to C 6 alkenyl, alkynyl, or substituted alkynyl, COR C ; R C is H, C 1 to C 3 alkyl, substituted C 1 to C 3 alkyl, aryl, substituted aryl, C 1 to C 3 alkoxy, substituted C 1 to C 3 alkoxy, C 1 to C 3 aminoalkyl, or substituted C 1 to C 3 aminoalkyl; R 4 is H, halogen, CN, NO 2 , C 1 to C 6 alkyl, substituted C 1 to C 6 alkyl, alkynyl, or substituted alkynyl, C 1 to C 6 alkoxy, substituted C 1 to C 6 alkoxy, amino, C 1 to C 6 aminoalkyl, or substituted C 1 to C 6 aminoalkyl; and R 5 is selected from a trisubstituted benzene ring of a five or six membered ring with 1, 2, or 3 heteroatoms from the group including O, S, SO, SO 2 or NR 6 and containing one or two independent substituents from the group including H, halogen, CN, NO 2 , amino, and C 1 to C 3 alky, C 1 to C 3 alkoxy, C 1 to C 3 aminoalkyl, COR F , or NR G COR F ; or pharmaceutically acceptable salt thereof, as well as pharmaceutical compositions and methods using the compounds as antagonists of the progesterone receptor.

  这项发明提供了Formula (I)的化合物： 其中R1和R2可以是单个取代基或融合形成螺环或杂环螺环；R3为H、OH、NH2、C1到C6烷基、取代的C1到C6烷基、C3到C6烯基、取代的C1到C6烯基、炔基或取代的炔基、CORC；RC为H、C1到C3烷基、取代的C1到C3烷基、芳基、取代的芳基、C1到C3烷氧基、取代的C1到C3烷氧基、C1到C3氨基烷基或取代的C1到C3氨基烷基； R4为H、卤素、CN、NO2、C1到C6烷基、取代的C1到C6烷基、炔基或取代的炔基、C1到C6烷氧基、取代的C1到C6烷氧基、氨基、C1到C6氨基烷基或取代的C1到C6氨基烷基；R5从包括O、S、SO、SO2或NR6的1、2或3个杂原子的五元或六元环的三取代苯环中选择，并含有来自包括H、卤素、CN、 、氨基和C1到C3烷基、C1到C3烷氧基、C1到C3氨基烷基、CORF或NRGCORF的一个或两个独立取代基；或其药学上可接受的盐，以及将这些化合物用作孕激素受体拮抗剂的药物组合物和方法。
• Combination regimens using progesterone receptor modulators
  申请人：WYETH

  公开号：US20030045511A1

  公开（公告）日：2003-03-06

  This invention relates to cyclic combination therapies and regimens utilizing substituted indoline derivative compounds which are antagonists of the progesterone receptor having the general structure: 1 wherein R 1 and R 2 may be single substituents or fused; R 3 is H, OH, NH 2 , C 1 to C 6 alkyl, COR C , or optionally substituted C 1 to C 6 alkyl, C 3 to C 6 alkenyl, or alkynyl; R C is H, or optionally substituted C 1 to C 3 alkyl, aryl, C 1 to C 3 alkoxy, or C 1 to C 3 aminoalkyl; R 4 is H, halogen, CN, NO 2 , or optionally substituted C 1 to C 6 alkyl, alkynyl, C 1 to C 6 alkoxy, amino, or C 1 to C 6 aminoalkyl; and R 5 is a benzene ring, a five or six membered heterocyclic ring; or pharmaceutically acceptable salt thereof. Methods of treatment include contraception, secondary amenorrhea, dysfunctional bleeding, uterine leiomyomata, endometriosis, polycystic ovary syndrome, carcinomas, adenocarcinomas minimization of side effects, or food intake stimulation.

  本发明涉及使用取代的吲哚啉衍生物化合物进行环状联合疗法和方案，这些化合物是孕激素受体拮抗剂，具有以下一般结构：1其中，R1和R2可以是单一取代基或融合基；R3为H、OH、NH2、C1到C6烷基、CORC或可选取代的C1到C6烷基、C3到C6烯基或炔基；RC为H或可选取代的C1到C3烷基、芳基、C1到C3烷氧基或C1到C3氨基烷基；R4为H、卤素、CN、NO2或可选取代的C1到C6烷基、炔基、C1到C6烷氧基、氨基或C1到C6氨基烷基；R5为苯环、五元或六元杂环环；或其药学上可接受的盐。治疗方法包括避孕、继发性闭经、功能性出血、子宫平滑肌瘤、子宫内膜异位症、多囊卵巢综合症、癌症、腺癌、副作用最小化或食欲刺激。
• CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS
  申请人：Zhang Puwen

  公开号：US20090111802A1

  公开（公告）日：2009-04-30

  This invention provides compounds of Formula (I): wherein R 1 and R 2 are independent substituents or are fused to form spirocyclic rings; R 3 , R C , and R 4 are as defined herein; and R 5 is a substituted benzene ring or a substituted five or six membered heterocyclic ring having in its backbone 1, 2, or 3 heteroatoms including O, S, SO, SO 2 or NR 6 ; or pharmaceutically acceptable salt thereof, as well as pharmaceutical compositions and methods using the compounds as antagonists of the progesterone receptor.

  该发明提供了式（I）的化合物：其中R1和R2是独立的取代基或融合形成螺环状环；R3，RC和R4如本文所定义；而R5是取代苯环或在其骨架中具有1、2或3个杂原子，包括O，S，SO，SO2或NR6的取代五元或六元杂环；或其药学上可接受的盐，以及使用该化合物作为孕激素受体拮抗剂的药物组合物和方法。
• CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC
  申请人：Wyeth

  公开号：EP1173210B1

  公开（公告）日：2004-09-15
• US6444668B1
  申请人：——

  公开号：US6444668B1

  公开（公告）日：2002-09-03