[4-[3-(3,4-二氯苯基)-1-氧代-2-丙烯基]苯氧基]-乙酸 | 245555-36-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 中文名称: [4-[3-(3,4-二氯苯基)-1-氧代-2-丙烯基]苯氧基]-乙酸
• 英文名称: {4-[(E)-3-(3,4-Dichloro-phenyl)-acryloyl]-phenoxy}-acetic acid
• 英文别名: [4-[3-(3,4-Dichlorophenyl)-1-oxo-2-propenyl]phenoxy]-acetic acid；2-[4-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]phenoxy]acetic acid
• CAS: 245555-36-6
• 化学式: C₁₇H₁₂Cl₂O₄
• 分子量: 351.186
• InChiKey: DCUDBWMZJBOZAB-KRXBUXKQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-乙酰苯氧基乙酸 、 3,4-二氯苯甲醛 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 生成 [4-[3-(3,4-二氯苯基)-1-氧代-2-丙烯基]苯氧基]-乙酸
  参考文献：
  名称：

  Design, Synthesis, and Evaluation of Novel Boronic-Chalcone Derivatives as Antitumor Agents

  摘要：

  A series of boronic-chalcone derivatives were synthesized and tested for antitumor activity against human breast cancer cell lines. The results show the boronic-chalcones are more toxic to breast cancer cells compared to normal breast cells than other known chalcones.

  DOI：

  10.1021/jm030213+

文献信息

• Derivatives of phenoxy acetic acid and phenoxymethyltetrazole having antitumor activity
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP0947494A1

  公开（公告）日：1999-10-06

  The present intention relates to the use derivatives of phenoxy acetic acid and of phenoxymethyl tetrazole of formula (I) wherein: the -O-C(R1)(R2)-(CH2)p-A group can be in ortho, meta or para position; A is selected from -COOH, -COO-(C1-C4)alkyl, -CN or a group of formula in which R' is hydrogen or (C1-C4)alkyl; or the group A-(CH2)p-C(R1)(R2)- is selected from phenyl, benzyl or (indolyl)methyl, which may be subsituted by R4 groups; p is 0, 1 or 2; R1 and R2 are independently selected from hydrogen or (C1-C8)alkyl or they form, together with the carbon atom to which they are linked, a (C3-C7)cycloalkyl group; R4 are from 0 to 2 substituents independently selected from chlorine, bromine, iodine, fluorine, linear or branched (C1-C8)alkyl, hydroxy, (C1-C4)alkoxy, (C1-C4)acyl groups; or the group in formula (I) is a naphtyl group which may be on its turn substituted by R4 groups; n is an integer from 1 to 4; m is 0 or 1; B is selected from linear or branched C1-C10 alkyl, -CO-C(R3)=CH-R, -CH=C(R3)-CO-Ar, -CO-CH(R3)-CH2-R or CO-CH(R3)-CH2-NR5R6 when m is 0 or is -CH=C(R3)-CO-Ar when m is 1; R is selected from hydrogen, -Ar or -CO-Ar; R3 is hydrogen or a (C1-C8)alkyl group; R5 and R6 are independently a (C1-C4)alkyl group or they form, together with the nitrogen atom to which they are linked, a piperidino, piperazino, (C1-C8)alkylpiperazino, morpholino or thiomorpholino group; Ar is a phenyl group which can be unsubstituted or substituted with from 1 to 3 groups independently selected from chlorine, bromine, iodine, fluorine, linear or branched (C1-C8)alkyl, hydroxy, (C1-C4)alkoxy, (C1-C4)acyl groups, stereoisomers thereof or salts thereof with pharmaceuticaly acceptable acids or basis, for the preparation of a medicament having MDM2 antagonistic activity, new compounds of the above formula, and pharmaceutical compositions containing at least one of those compounds.

  本发明涉及苯氧乙酸和苯氧甲基四唑的衍生物的使用，其化学式为（I）：其中：-O-C（R1）（R2）-（CH2）p-A基团可以处于邻位、间位或对位；A从-COOH，-COO-（C1-C4）烷基，-CN或式中R'为氢或（C1-C4）烷基的基团中选择；或式中A-（CH2）p-C（R1）（R2）-的基团从苯基，苄基或（吲哚基）甲基中选择，可以被R4基取代；p为0、1或2；R1和R2独立选择自氢或（C1-C8）烷基，或与它们链接的碳原子一起形成（C3-C7）环烷基；R4是从0到2个取代基，可独立选择自氯、溴、碘、氟、线性或支链（C1-C8）烷基、羟基、（C1-C4）烷氧基、（C1-C4）酰基基团；或式（I）中的基团是一个萘基，可以被R4基取代；n是1到4的整数；m为0或1；B从线性或支链C1-C10烷基，-CO-C（R3）=CH-R，-CH=C（R3）-CO-Ar，-CO-CH（R3）-CH2-R或CO-CH（R3）-CH2-NR5R6中选择，当m为0时，或者当m为1时，为-CH=C（R3）-CO-Ar；R从氢、-Ar或-CO-Ar中选择；R3为氢或（C1-C8）烷基；R5和R6独立选择自（C1-C4）烷基或与它们链接的氮原子一起形成哌啶基，哌嗪基，（C1-C8）烷基哌嗪基，吗啉基或硫代吗啉基；Ar是苯基，可以是未取代或取代的，取代基独立选择自氯、溴、碘、氟、线性或支链（C1-C8）烷基、羟基、（C1-C4）烷氧基、（C1-C4）酰基基团，其立体异构体或与药用可接受的酸或碱盐形成的盐，用于制备具有MDM2拮抗活性的药物，上述化合物的新化合物以及含有至少其中一种化合物的制药组合物。
• [EN] BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY<br/>[FR] COMPOSES DE BISARYLSULFONAMIDE ET LEUR UTILISATION DANS LE TRAITEMENT DU CANCER
  申请人：CYCLACEL LTD

  公开号：WO2004005278A1

  公开（公告）日：2004-01-15

  The present invention relates to the use of bisarylsulfonamide compounds of formula (I) wherein W is a CI-5 branched or unbranched alkyl group or a C2-5 alkenyl group; nis0or1; R1 is H, a C, 1-8 branched or unbranched alkyl group, a C2-8 alkenyl group, or an aryl or aralkyl group; Ar1 is a substituted thienyl, furyl, pyrrolyl, imidazothiazolyl, thiazolyl, pyridyl or phenyl group; and Ar2 is a substituted phenyl, indolyl or benzoimidazolyl group; in the preparation of a medicament for treating proliferative disorders. Further aspects of the invention relate to compounds of formula (I), pharmaceutical compositions thereof, and an assay for determining binding to HDM2.

  本发明涉及使用公式（I）中的双芳基磺酰胺化合物，其中W是CI-5支链或直链烷基或C2-5烯基基团；n为0或1；R1为H，C1-8支链或直链烷基，C2-8烯基基团，或芳基或芳基烷基团；Ar1为取代噻吩基，呋喃基，吡咯基，咪唑硫唑基，噻唑基，吡啶基或苯基；Ar2为取代苯基，吲哚基或苯并咪唑基团，在制备用于治疗增殖性疾病的药物方面。本发明的其他方面涉及公式（I）的化合物，其制药组合物以及用于确定与HDM2结合的测定方法。
• Derivatives of phenoxy acetic acid and of phenoxymethyl tetrazole having antitumor activity
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP0947511A1

  公开（公告）日：1999-10-06

  The present invention relates to the use derivatives of phenoxy acetic acid and of phenoxymethyl tetrazole of formula (I) wherein A, B, R1, R2, R4, p, n and m have the above-stated meanings, their pharmaceutically acceptable acids or basis to produce pharmaceutical agents for the treatment of diseases where MDM2 antagonistic activity is involved, processes for their production and pharmaceutical agents which contain these compounds having MDM2antagonistic activity.

  本发明涉及使用式（I）的苯氧乙酸和苯氧甲基四唑的衍生物 其中 A、B、R1、R2、R4、p、n 和 m 具有上述含义，它们的药学上可接受的酸或碱用于生产治疗涉及 MDM2 拮抗活性的疾病的药剂，它们的生产工艺以及含有这些具有 MDM2 拮抗活性的化合物的药剂。
• Bisarylsulfonamide compounds and their use in cancer therapy
  申请人：Wang Shudong

  公开号：US20050215548A1

  公开（公告）日：2005-09-29

  The present invention relates to the use of bisarylsulfonamide compounds of formula I wherein W is a C 1-5 branched or unbranched alkyl group or a C 2-5 alkenyl group; n is 0 or 1; R 1 is H, a C 1-8 branched or unbranched alkyl group, a C 2-8 alkenyl group, or an aryl or aralkyl group; Ar 1 is a substituted thienyl, furyl, pyrrolyl, imidazothiazolyl, thiazolyl, pyridyl or phenyl group; and Ar 2 is a substituted phenyl, indolyl or benzoimidazolyl group; in the preparation of a medicament for treating proliferative disorders. Further aspects of the invention relate to compounds of formula I, pharmaceutical compositions thereof, and an assay for determining binding to HDM2.

  本发明涉及式 I 双芳磺酰胺化合物的用途 其中 W 是 C 1-5 支链或未支链烷基或 C 2-5 烯基；n 为 0 或 1； R 1 是 H、C 1-8 支链或未支链烷基、C 2-8 烯基、芳基或芳烷基； Ar 1 是取代的噻吩基、呋喃基、吡咯基、咪唑噻唑基、噻唑基、吡啶基或苯基；以及 Ar 2 是取代的苯基、吲哚基或苯并咪唑基；用于制备治疗增生性疾病的药物。本发明的其他方面涉及式 I 的化合物、其药物组合物以及确定与 HDM2 结合的检测方法。
• BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY
  申请人：Cyclacel Limited

  公开号：EP1519932A1

  公开（公告）日：2005-04-06