6-Bromo-4,4-dimethyl-1,4-dihydro-2H-pyrido[2,3-d][1,3]oxazin-2-one | 304467-36-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6-Bromo-4,4-dimethyl-1,4-dihydro-2H-pyrido[2,3-d][1,3]oxazin-2-one
• 英文别名: 6-bromo-4,4-dimethyl-1H-pyrido[2,3-d][1,3]oxazin-2-one
• CAS: 304467-36-5
• 化学式: C₉H₉BrN₂O₂
• 分子量: 257.087
• InChiKey: URSVWIFJEICCTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4,4-dimethyl-1,4-dihydro-2H-pyrido[2,3-d][1,3]oxazin-2-one 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 乙腈 为溶剂， 反应 4.5h， 以48%的产率得到6-Bromo-4,4-dimethyl-1,4-dihydro-2H-pyrido[2,3-d][1,3]oxazin-2-one
  参考文献：
  名称：

  AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR

  摘要：

  本发明提供了以下式（I）所表示的化合物： [其中，A表示以下式（A-1）的基团： 等等，R1和R2分别独立表示氢原子等，Z表示CR3等，W表示CR4等，Q表示CR5等，R3、R4和R5分别独立表示氢原子等，Y表示氧原子或硫原子，X表示氧原子等，B表示可选择地取代的芳基或可选择地取代的杂环基]，其前药或其药学上可接受的盐，用于预防或治疗高血压、脑卒中、心力衰竭等各种疾病。

  公开号：

  EP1844768A1

文献信息

• CYCLIC UREA AND CYCLIC AMIDE DERIVATIVES
  申请人：American Home Products Corporation

  公开号：EP1173443A1

  公开（公告）日：2002-01-23
• CONTRACEPTIVE COMPOSITIONS CONTAINING CYCLIC UREA AND AMIDE DERIVATIVES
  申请人：AMERICAN HOME PRODUCTS CORPORATION

  公开号：EP1173208A2

  公开（公告）日：2002-01-23
• [EN] CYCLIC REGIMENS USING CYCLIC UREA AND CYCLIC AMIDE DERIVATIVES<br/>[FR] SCHEMAS POSOLOGIQUES CYCLIQUES COMPRENANT DE L'UREE CYCLIQUE ET DES DERIVES CYCLIQUES D'AMIDE
  申请人：AMERICAN HOME PROD

  公开号：WO2000066103A2

  公开（公告）日：2000-11-09

  This invention concerns cyclic combination therapies using indoline derivatives which are progesterone receptor antagonists of general structure (I) wherein: A, B and D are N or CH, though not all can be CH; R?1 and R2¿ are H, COR?A, NRBCORA¿, or optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, or aryl groups; or R?1 and R2¿ form a spirocyclic ring; RA is H or optionally substituted alkyl, aryl, alkoxy, or aminoalkyl; RB is H, alkyl alkyl; R3 is H, OH, NH¿2?, alkyl, alkenyl, or COR?C; RC¿ is H, alkyl, aryl, alkoxy, or aminoalkyl; R4 is benzene or a 5 or 6 memebered heteroaromatic ring; RF is H, alkyl, aryl, alkoxy, or aminoalkyl; RG is H or alkyl; R5 is H or alkyl; W is O or a chemical bond; or a pharmaceutically acceptable salt thereof. These methods may be used for contraception or treatment and/or prevention of secondary amenorrhea, dysfunctional bleeding, uterine leiomyomata, endometriosis; polycystic ovary syndrome, carcinomas and adenocarcinomas of the endometrium, ovary, breast, colon, prostate, or minimization of side effects or cyclic menstrual bleeding. Additional uses of the invention include stimulation of food intake.
• [EN] CYCLIC UREA AND CYCLIC AMIDE DERIVATIVES<br/>[FR] DERIVES D'UREE ET D'AMIDE CYCLIQUES
  申请人：AMERICAN HOME PROD

  公开号：WO2000066592A1

  公开（公告）日：2000-11-09

  This invention provides compounds of formula (I) wherein: A, B and D are N or CH, with the proviso that A, B and D can not all be CH; R?1 and R2¿ are independent substituents selected from H, COR?A, NRBCORA¿, or optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, aryl, or groups; or R?1 and R2¿ are fused to form an optionally substituted 3 to 8 membered spirocyclic alkyl, alkenyl or heterocyclic ring; RA is H or optionally substituted alkyl, aryl, alkoxy, or aminoalkyl; RB is H, C¿1? to C3 alkyl, or substituted C1 to C3 alkyl; R?3¿ is H, OH, NH¿2?, or optionally substituted alkyl, or alkenyl, or COR?C; Rc¿ is H or optionally substituted alkyl, aryl, alkoxy, or aminoalkyl; R4 is a substituted benzene ring or a five or six membered ring with 1, 2 or 3 heteroatoms from the group including O, S, SO, SO¿2? or NR?5; RF¿ is H or optionally substituted alkyl, aryl, alkoxy, or aminoalkyl; RG is H, alkyl, or substituted alkyl; R5 is H or alkyl; Q is O, S, NR?6, or CR7R8; R6¿ is CN, SO¿2?CF3, or optionally substituted alkyl, cycloalkyl, aryl, or heterocyclic ring; R?7 and R8¿ are H, NO¿2?, CN CO2R?9¿, or optionally substituted alkyl, cycloalkyl, aryl, or heterocyclic; R9 is C1 to C3 alkyl; or CR7R8 form a six membered ring of structure (a): W is O or a chemical bond; or a pharmaceutically acceptable salt thereof, as well as their use and pharmaceutical compositions as agonists and antagonists of the progesterone receptor.
• AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP1844768A1

  公开（公告）日：2007-10-17

  The present invention provides a compound represented by the following formula (I): [wherein, A represents a group of the following formula (A-1): etc., R1 and R2 each independently represent a hydrogen atom etc., Z represents CR3 etc., W represents CR4 etc., Q represents CR5 etc., R3, R4 and R5 each independently represent a hydrogen atom etc., Y represents an oxygen atom or sulfur atom, X represents an oxygen atom etc. and B represents an optionally substituted aryl group or optionally substituted heteroaryl group], the prodrug thereof or the pharmaceutically acceptable salt thereof for preventing or treating various diseases such as hypertesion, cerebral stroke, cardiac failure, etc.

  本发明提供了以下式（I）所表示的化合物： [其中，A表示以下式（A-1）的基团： 等等，R1和R2分别独立表示氢原子等，Z表示CR3等，W表示CR4等，Q表示CR5等，R3、R4和R5分别独立表示氢原子等，Y表示氧原子或硫原子，X表示氧原子等，B表示可选择地取代的芳基或可选择地取代的杂环基]，其前药或其药学上可接受的盐，用于预防或治疗高血压、脑卒中、心力衰竭等各种疾病。