(E)-3-bromo-2-fluorobenzaldehyde oxime

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (E)-3-bromo-2-fluorobenzaldehyde oxime
• 英文别名: (E)-N-[(3-Bromo-2-fluorophenyl)methylidene]hydroxylamine；(NE)-N-[(3-bromo-2-fluorophenyl)methylidene]hydroxylamine
• 化学式: C₇H₅BrFNO
• 分子量: 218.025
• InChiKey: RVIWEEPJDGUIDT-ONNFQVAWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  32.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-3-bromo-2-fluorobenzaldehyde oxime 在 N-氯代丁二酰亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以72 %的产率得到(Z)-3-bromo-2-fluoro-N-hydroxybenzimidoyl chloride
  参考文献：
  名称：

  [EN] PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE
  [FR] DÉRIVÉS DE PYRROLIDINONE UTILES COMME INHIBITEURS DE LA KINASE D'INDUCTION DE NF-KB

  摘要：

  The present disclosure relates to compounds of Formula (I) that inhibit NIK and pharmaceutical compositions comprising such compounds and methods of using the same. These compounds and pharmaceutical compositions are useful for preventing or treating diseases such as inflammatory disorders and autoimmune disorders.

  公开号：

  WO2023217906A1
• 作为产物：
  描述：

  3-溴-2-氟苯甲醛 在 盐酸羟胺 、 sodium acetate 作用下， 以 乙醇 为溶剂， 以99 %的产率得到(E)-3-bromo-2-fluorobenzaldehyde oxime
  参考文献：
  名称：

  [EN] PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE
  [FR] DÉRIVÉS DE PYRROLIDINONE UTILES COMME INHIBITEURS DE LA KINASE D'INDUCTION DE NF-KB

  摘要：

  The present disclosure relates to compounds of Formula (I) that inhibit NIK and pharmaceutical compositions comprising such compounds and methods of using the same. These compounds and pharmaceutical compositions are useful for preventing or treating diseases such as inflammatory disorders and autoimmune disorders.

  公开号：

  WO2023217906A1

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。
• Cyclic regimens utilizing indoline derivatives
  申请人：WYETH

  公开号：US20030050288A1

  公开（公告）日：2003-03-13

  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 to form spirocyclic rings, in combination with progestins, estrogens, or both. These methods of treatment may be used for contraception, for the treatment and/or prevention of secondary amenorrhea, dysfunctional bleeding, uterine leiomyomata, endometriosis, polycystic ovary syndrome, carcinomas and adenocarcinomas of the endometrium, ovary, breast, colon, or prostate, minimization of side effects, cyclic menstrual bleeding, or stimulation of food intake.

  本发明涉及使用取代的吲哚啉衍生物化合物作为孕激素受体拮抗剂，其具有以下一般结构式：1其中R1和R2可以是单个取代基或融合形成螺环，并与孕激素、雌激素或两者结合使用的循环组合疗法和方案。这些治疗方法可用于避孕、治疗和/或预防继发性闭经、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、子宫内膜、卵巢、乳腺、结肠或前列腺的癌症和腺癌、减少副作用、循环月经出血或刺激食欲。
• Indoline derivatives
  申请人：Wyeth

  公开号：US20030220388A1

  公开（公告）日：2003-11-27

  This invention relates to substituted indoline derivative compounds which are antagonists of the progesterone receptor, their preparation and pharmaceutical utility, particularly including contraception and treatment of benign or malignant neoplastic diseases, having the general structure: 1 wherein R 1 and R 2 may be single substituents or fused to form spirocyclic rings.

  本发明涉及取代的吲哚啉衍生物化合物，它们是孕激素受体拮抗剂，包括其制备和药用，特别是包括避孕和治疗良性或恶性肿瘤疾病，具有以下一般结构：1，其中R1和R2可以是单个取代基或融合形成螺环。
• 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。