2-benzenesulfonyl-acetoacetic acid ethyl ester | 100118-47-6

• 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: 2-benzenesulfonyl-acetoacetic acid ethyl ester
• 英文别名: 2-Benzolsulfonyl-acetessigsaeure-aethylester；Ethyl 2-(benzenesulfonyl)-3-oxobutanoate
• CAS: 100118-47-6
• 化学式: C₁₂H₁₄O₅S
• 分子量: 270.306
• InChiKey: XRCABCXKPRMIQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  85.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  乙酰乙酸乙酯 、 苯磺酰氯 在 sodium hydride 作用下， 以52%的产率得到2-benzenesulfonyl-acetoacetic acid ethyl ester
  参考文献：
  名称：

  Chemistry of novel compounds with multifunctional carbon structure. 7. Synthetic studies of the potentially versatile monofluoro molecules, .alpha.-functionalized .alpha.-fluoro-.beta.-keto esters

  摘要：

  DOI：

  10.1021/jo00033a058

文献信息

• [EN] COMPOUNDS CONTAINING CARBON-CARBON LINKER AS GPR120 AGONISTS<br/>[FR] COMPOSÉS CONTENANT UNE SÉQUENCE DE LIAISON CARBONE-CARBONE EN TANT QU'AGONISTES GPR120
  申请人：PIRAMAL ENTPR LTD

  公开号：WO2016125182A1

  公开（公告）日：2016-08-11

  The present invention relates to compound of Formula (I) containing carbon-carbon linker, a stereoisomer, a tautomer, a pharmaceutically acceptable salt, a pharmaceutically acceptable solvate, a prodrug, a polymorph, N -oxide, S-oxide, or a carboxylic acid isostere thereof; processes for their preparation; pharmaceutical compositions comprising said compounds; and their use for the treatment of the diseases or disorders mediated by GPR120 receptor.

  本发明涉及具有含有碳-碳连接物的化合物(I)的立体异构体、互变异构体、药学上可接受的盐、药学上可接受的溶剂化合物、前药、多型、N-氧化物、S-氧化物，或其羧酸异构体；其制备方法；包含所述化合物的药物组合物；以及其用于治疗由GPR120受体介导的疾病或紊乱的用途。
• 1,4-Dihydropyridines with paf-antagonistic activity
  申请人：ALTER, S.A.

  公开号：EP0531598A1

  公开（公告）日：1993-03-17

  4-alkyl-1,4-dihydropyridines with activity antagonistic of the PAF-"aceter" of formula (I) are described, in which R is a saturated alkyl chain C1-2; R' is a saturated or unsaturated C1-16 lineal, branched or cyclic chain that can be interrupted by an oxygen atom and can also represent a 2-(N-morpholine) ethyl group; n is 2 or 3; X is oxygen, sulphur or SO2; Ar represents an aromatic ring that cannot be phenyl when X=S and n=2. The compounds (I) can be prepared (a) by reaction of (II) with (III) and with (IV); or (b) by reacting (V) with (VI) and (IV); or (c) by reaction of (VII) with (VI). In these formulas the different radicals have the meaning given above. Compounds of formula (I) are used for the treatment of pathologic states and disorders in which the PAF-"aceter" participates, being used, for example, in treatment of inflammatory processes, psoriasis, glomerulitis, transplant rejection, acute and chronic bronchitis, bronchial asthma, states of shock and allergies Likewise it is used for the treatment of pathologic states and disorders in which it is necessary to stimulate the cellular immunity such as in immunodeficient syndromes and other situations in which the defense capacity is reduced.

  描述了具有拮抗 PAF-"aceter "活性的式(I)的 4-烷基-1,4-二氢吡啶类化合物，其中 R 是饱和烷基链 C1-2；R'是饱和或不饱和 C1-16 直链、支链或环链，可被氧原子打断，也可代表 2-(N-吗啉)乙基；n 是 2 或 3；X 是氧、硫或 SO2；Ar 代表芳香环，当 X=S 和 n=2 时不能是苯基。化合物(I)可以(a)通过(II)与(III)和(IV)反应制备；或(b)通过(V)与(VI)和(IV)反应制备；或(c)通过(VII)与(VI)反应制备。在这些式子中，不同基团的含义如上。 式（I）化合物可用于治疗 PAF-"aceter "参与的病理状态和疾病，例如用于治疗炎症过程、银屑病、肾小球炎、移植排斥反应、急慢性支气管炎、支气管哮喘、休克状态和过敏。
• Philbin et al., Journal of the Chemical Society, 1957, p. 2338
  作者：Philbin et al.

  DOI：——

  日期：——
• US5298619A
  申请人：——

  公开号：US5298619A

  公开（公告）日：1994-03-29