8-氟-4,4-二甲基-1,4-二氢-2H-3,1-苯并恶嗪-2-酮 | 304854-40-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 8-氟-4,4-二甲基-1,4-二氢-2H-3,1-苯并恶嗪-2-酮
• 英文名称: 8-fluoro-4,4-dimethyl-dihydro-benzo[d][1,3]oxazin-2-one
• 英文别名: 8-fluoro-4,4-dimethyl-1H-benzo[d][1,3]oxazin-2(4H)-one；8-fluoro-4,4-dimethyl-1H-3,1-benzoxazin-2-one
• CAS: 304854-40-8
• 化学式: C₁₀H₁₀FNO₂
• 分子量: 195.193
• InChiKey: KGGCHFAUEBWYDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8-氟-4,4-二甲基-1,4-二氢-2H-3,1-苯并恶嗪-2-酮 在 溴 作用下， 以 溶剂黄146 为溶剂， 以84%的产率得到6-(3-Chloro-4-fluoro-phenyl)-8-fluoro4,4-dimethyl-1,4-dihydrobenzo [d][1,3]-oxazin-2-one
  参考文献：
  名称：

  Cyclocarbamate derivatives as progesterone receptor modulators

  摘要：

  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、NO2、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。

  公开号：

  US20020049204A1

文献信息

• [EN] CYCLOTHIOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS<br/>[FR] DERIVES DE CYCLOTHIOCARBAMATE TENANT LIEU DE MODULATEURS DU RECEPTEUR DE PROGESTERONE
  申请人：AMERICAN HOME PROD

  公开号：WO2000066570A1

  公开（公告）日：2000-11-09

  The present invention provides compounds which are agonists of the progesterone receptor and have structures (I) or (II) wherein R1 and R2 are independent substituents selected from the group of H, optionally substituted C1 to C6 alkyl, alkenyl, alkynyl, or alkynyl groups C3 to C8 cycloalkyl, aryl, substituted aryl, or heterocyclic groups, or COR?A or NRBCORA; or R1 and R2¿ are fused to form an optionally substituted 3 to 8 membered Spiro cyclic alkyl or alkenyl ring or a Spiro cyclic ring containing one to three heteroatoms selected from O, S and N; RA is selected from H, amino, or optionally substituted C¿1? to C3 alkyl, aryl, C1 to C3 alkoxy, or C1 to C3 aminoalkyl groups; R?B¿ is H, C¿1? to C3 alkyl, or substituted C1 to C3 alkyl; R?3¿ is H, OH, NH¿2 COR?C, or optionally substituted C¿1? to C6 alkyl, C3 to C6 alkenyl, or alkynyl groups; R?C¿ is selected from H or optionally substituted C¿1? to C3 alkyl, aryl, C1 to C3 alkoxy, or C1 to C3 aminoalkyl groups; Q?1¿ is S, NR?7; or CR8R9, R5¿ is an optionally trisubstituted benzene ring or an optionally substituted five or six membered heterocyclic ring with 1, 2, or 3 ring heteroatoms selected from the group of O, S, SO, SO¿2? or NR?6¿; or a pharmaceutically acceptable salt thereof, as well as methods of using these compounds for contraception and the treatment of progesterone-related maladies.

  本发明提供了具有结构（I）或（II）的孕激素受体激动剂化合物，其中R1和R2是独立的取代基，选自H，可选取代的C1至C6烷基，烯基，炔基或C3至C8环烷基，芳基，取代芳基或杂环基，或COR？A或NRBCORA; 或R1和R2¿融合形成可选取代的3至8环螺环烷基或烯基环或含有1至3个杂原子（选自O，S和N）的螺环状环；RA选自H，氨基或可选取代的C¿1？至C3烷基，芳基，C1至C3烷氧基或C1至C3氨基烷基基团；R?B¿选自H，C¿1？至C3烷基或取代的C1至C3烷基；R?3¿选自H，OH，NH¿2 COR?C，或可选取代的C¿1？至C6烷基，C3至C6烯基或炔基基团；R?C¿选自H或可选取代的C¿1？至C3烷基，芳基，C1至C3烷氧基或C1至C3氨基烷基基团；Q?1¿选自S，NR?7; 或CR8R9，R5¿为可选的三取代苯环或带有1、2或3个选自O，S，SO，SO¿2？或NR?6¿的杂环的可选取代的五元或六元环；或其药学上可接受的盐，以及使用这些化合物进行避孕和治疗孕激素相关疾病的方法。
• 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。
• Cyclothiocarbamate derivatives as progesterone receptor modulators
  申请人：Zhang Puwen

  公开号：US20060142280A1

  公开（公告）日：2006-06-29

  Methods of using compounds which are progesterone receptor agonists for contraception and the treatment of progesterone-related maladies alone or in combination with an estrogen receptor agonist or progesterone receptor antagonist are provided. These compounds have the structure: wherein R 1 , R 2 , R 3 , R 4 , R 5 , and Q 1 are defined herein.

  本方法提供了使用具有孕激素受体激动剂作用的化合物进行避孕和单独或与雌激素受体激动剂或孕激素受体拮抗剂联合治疗孕激素相关疾病的方法。这些化合物具有以下结构： 其中，R1、R2、R3、R4、R5和Q1在此定义。
• CYCLOTHIOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS
  申请人：Zhang Puwen

  公开号：US20090281096A1

  公开（公告）日：2009-11-12

  Methods of using compounds which are progesterone receptor agonists for contraception and the treatment of progesterone-related maladies alone or in combination with an estrogen receptor agonist or progesterone receptor antagonist are provided. These compounds have the structure: wherein R 1 , R 2 , R 3 , R 4 , R 5 , and Q 1 are defined herein.

  本发明提供了使用化合物作为孕激素受体激动剂进行避孕和治疗孕激素相关疾病的方法，这些化合物可以单独使用或与雌激素受体激动剂或孕激素受体拮抗剂联合使用。这些化合物具有以下结构：其中R1，R2，R3，R4，R5和Q1如本文所定义。
• 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。