3-bromo-4-(4-fluorophenyl)-4-oxobutanoic acid | 49780-08-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-bromo-4-(4-fluorophenyl)-4-oxobutanoic acid
• 英文别名: β-bromo-β-p-fluorobenzoyl-propionic acid；3-Bromo-3-(p-fluorobenzoyl)propionic acid；3-bromo-3-(4-fluorobenzoyl)propionic acid；3-bromo-4-(4-fluoro-phenyl)-4-oxo-butyric acid
• CAS: 49780-08-7
• 化学式: C₁₀H₈BrFO₃
• mdl: MFCD06335536
• 分子量: 275.074
• InChiKey: CAZGDYWJCWEYTI-UHFFFAOYSA-N

物化性质

• 沸点：
  384.6±37.0 °C(Predicted)
• 密度：
  1.653±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-bromo-4-(4-fluorophenyl)-4-oxobutanoic acid 在 氢氧化钾 作用下， 以 乙醇 、 水 为溶剂， 反应 4.0h， 生成 [2-[(E)-2-(4-Chloro-phenyl)-vinyl]-4-(4-fluoro-phenyl)-thiazol-5-yl]-acetic acid
  参考文献：
  名称：

  Bonina; Guerrera; Sarva, Farmaco, Edizione Scientifica, 1987, vol. 42, # 12, p. 905 - 913

  摘要：

  DOI：
• 作为产物：
  描述：

  3-(4-氟苯甲酰基)丙酸 在 溴 作用下， 以 溶剂黄146 为溶剂， 生成 3-bromo-4-(4-fluorophenyl)-4-oxobutanoic acid
  参考文献：
  名称：

  [4R]-3-(.omega.-Aroylpropionyl)-4-thiazolidinecarboxylic acids and esters

  摘要：

  这份披露描述了新型的[4R]-3-(.omega.-芳酰基丙酰基)-4-噻唑烷甲酸及其酯以及相应的阳离子盐，它们在哺乳动物中作为降压剂是有用的。

  公开号：

  US04374249A1

文献信息

• Substituted thio-substituted benzyl-propionyl-L-prolines
  申请人：American Cyanamid Company

  公开号：US04226775A1

  公开（公告）日：1980-10-07

  This disclosure describes novel substituted .omega.-aroyl(propionyl or butyryl)-L-prolines and the esters and cationic salts thereof which are useful as hypotensive agents in mammals.

  这份披露描述了新型的取代的ω-芳酰基（丙酰基或丁酰基）-L-脯氨酸及其酯和阳离子盐，它们在哺乳动物中作为降血压剂是有用的。
• INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE
  申请人：WISCONSIN ALUMNI RESEARCH FOUNDATION

  公开号：US20170258805A1

  公开（公告）日：2017-09-14

  Compounds and salts thereof which are acyl-sulfonamides or certain carboxylic acids and which inhibit microbial growth or attenuate the virulence of pathogenic microorganisms and which inhibit UDP-galactopyranose mutase (UGM). Compounds of the invention include 2-aminothiazoles and triazolothiadiazines, particularly 3,6,7-substituted-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines, and 2-amino and salts thereof. Methods for inhibiting growth or attenuating virulence of microbial pathogens including mycobacterium , for example, M. tuberculosis and M. smegmatis and Klebsiella , for example, Klebsiella pneumoniae . Methods for inhibiting eukaryotic human and animal pathogens, and fungi and nematodes in particular. Methods for treatment of infections by prokaryotic and eukaryotic pathogens employing compounds of the invention.

  其酰基磺酰胺或某些羧酸的化合物及其盐，能够抑制微生物生长或减弱病原微生物的毒力，并且能够抑制UDP-半乳糖吡喃糖异构酶（UGM）。该发明的化合物包括2-氨基噻唑和三唑噻二嗪，特别是3,6,7-取代的7H-[1,2,4]三唑噻二嗪和其盐，以及2-氨基。抑制微生物病原体生长或减弱其毒力的方法包括结核分枝杆菌（例如结核分枝杆菌和平滑分枝杆菌）和克雷伯氏菌（例如肺炎克雷伯氏菌）等微生物病原体。抑制真核人类和动物病原体、真菌和线虫的方法，特别是治疗原核和真核病原体感染的方法，采用了该发明的化合物。
• [EN] SUBSTITUTED THIAZOLEACETIC AS CRTH2 LIGANDS<br/>[FR] ACIDES THIAZOLEACETIQUES SUBSTITUES EN TANT QUE LIGANDS CRTH2
  申请人：7TM PHARMA AS

  公开号：WO2005116001A1

  公开（公告）日：2005-12-08

  Compounds of formula (I) are useful for the treatment of disease responsive to modulation of CRTH2 receptor activity, such as asthma, rhinitis, allergic airway syndrome, and allergic rhinobronchitis; wherein X1 is -S-, -O-, -N=N-. -NR7-, -CR7=CR8-, -CR7=N-, wherein R7 and R8 are independently hydrogen or C1-C3 alkyl; A is a carboxyl group -COOH, or a carboxyl bioisostere; rings Ar2 and Ar3 each independently represent a phenyl or 5- or 6­-membered monocyclic heteroaryl ring, or a bicyclic ring system consisting of a 5- or 6-membered carbocyclic or heterocyclic ring which is benz-fused or fused to a 5- or 6-membered monocyclic heteroaryl ring, said ring or ring system being optionally substituted; ring B is as defined for Ar2 and Ar3, or an optionally substituted N-­pyrrolidinyl, N-piperidinyl or N-azepinyl ring; s is 0 or 1; L1, L2 and L4 are linker radicals as defined in the description; Q1 and Q2 represent substituents as defined in the description.

  式(I)的化合物对于治疗对CRTH2受体活性调节敏感的疾病有用，如哮喘、鼻炎、过敏性气道综合征和过敏性鼻支气管炎；其中X1为-S-，-O-，-N=N-，-NR7-，-CR7=CR8-，-CR7=N-，其中R7和R8独立地为氢或C1-C3烷基；A为羧基-COOH，或羧基生物异构体；环Ar2和环Ar3各自独立地表示苯基或5-或6-成员的单环杂芳基环，或由5-或6-成员的碳环或杂环环组成的双环系统，该环或环系可以选择性地被取代；环B的定义与环Ar2和环Ar3相同，或者是一个可选择性取代的N-吡咯烷基，N-哌啶基或N-氮杂七元环；s为0或1；L1、L2和L4为描述中定义的连接基；Q1和Q2表示描述中定义的取代基。
• 5-Substituted 2-amino-4-arylthiazoles
  申请人：Instituto Luso Farmaco d'Italia S.r.l.

  公开号：US03933838A1

  公开（公告）日：1976-01-20

  5-Substituted 2-amino-4-arylthiazoles have interesting properties as anti-inflammatories, antipyretics, analgesics, antibacterials, C.N.S. depressants, anti-ulcer, and anti-cough agents.

  5-取代基2-氨基-4-芳基噻唑具有作为抗炎、解热、镇痛、抗菌、中枢神经系统抑制剂、抗溃疡和抗咳嗽剂的有趣特性。
• Substituted Thiazoleacetic Acid as Crth2 Ligands
  申请人：Ulven Trond

  公开号：US20080119456A1

  公开（公告）日：2008-05-22

  Compounds of formula (I) are useful for the treatment of disease responsive to modulation of CRTH2 receptor activity, such as asthma, rhinitis, allergic airway syndrome, and allergic rhinobronchitis; wherein X 1 is —S—, —O—, —N═N—. —NR 7 —, —CR 7 ═CR 8 —, —CR 7 ═N—, wherein R 7 and R 8 are independently hydrogen or C 1 -C 3 alkyl; A is a carboxyl group —COOH, or a carboxyl bioisostere; rings Ar 2 and Ar 3 each independently represent a phenyl or 5- or 6-membered monocyclic heteroaryl ring, or a bicyclic ring system consisting of a 5- or 6-membered carbocyclic or heterocyclic ring which is benz-fused or fused to a 5- or 6-membered monocyclic heteroaryl ring, said ring or ring system being optionally substituted; ring B is as defined for Ar 2 and Ar 3 , or an optionally substituted N-pyrrolidinyl, N-piperidinyl or N-azepinyl ring; s is 0 or 1; L1, L2 and L4 are linker radicals as defined in the description; Q 1 and Q 2 represent substituents as defined in the description.

  式(I)的化合物对于治疗对CRTH2受体活性调节敏感的疾病，如哮喘、鼻炎、过敏性气道综合症和过敏性鼻支气管炎是有用的；其中X1为—S—、—O—、—N═N—、—NR7—、—CR7═CR8—、—CR7═N—，其中R7和R8独立地为氢或C1-C3烷基；A为羧基—COOH，或羧基生物同位素；环Ar2和Ar3各自表示苯基或5-或6-成员单环杂芳基环，或由5-或6-成员碳环或杂环环组成的双环系统，该环或环系统可以选择性地被取代；环B与Ar2和Ar3的定义相同，或是一个可以选择性地被取代的N-吡咯烷基、N-哌啶基或N-氮杂环己基环；s为0或1；L1、L2和L4为描述中定义的连接基团；Q1和Q2表示描述中定义的取代基。