3-cyano-2-methyl-3,3-diphenyl-propionic acid | 50347-16-5

• 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: 3-cyano-2-methyl-3,3-diphenyl-propionic acid
• 英文别名: 3-Cyan-2-methyl-3,3-diphenyl-propionsaeure；3-cyano-3,3-diphenyl-2-methylpropionic acid；3-cyano-2-methyl-3,3-diphenylpropanoic acid
• CAS: 50347-16-5
• 化学式: C₁₇H₁₅NO₂
• 分子量: 265.312
• InChiKey: UWDIRLLLDNWENZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  61.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-cyano-2-methyl-3,3-diphenyl-propionic acid 在 甲醇 、 硫酸 作用下， 生成 (+/-)-3-Methyl-4,4-diphenyl-pyrrolidin-2,5-dion
  参考文献：
  名称：

  Salmon-Legagneur; Neveu, Bulletin de la Societe Chimique de France, 1959, p. 1958,1959

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氢氧化钾 作用下， 生成 3-cyano-2-methyl-3,3-diphenyl-propionic acid
  参考文献：
  名称：

  Salmon-Legagneur; Neveu, Bulletin de la Societe Chimique de France, 1959, p. 1958,1959

  摘要：

  DOI：

文献信息

• Aminoalkyl substituted urea derivatives and method of treatment
  申请人：H. Lundbeck A/S

  公开号：US04650900A1

  公开（公告）日：1987-03-17

  The present invention relates to novel amino alkyl substituted urea derivatives as well as their acid addition salts with pharmaceutically acceptable acids, to methods for the preparation of said derivatives and pharmaceutical compositions containing same, and a method for the treatment of tumors therewith. The novel urea derivatives have shown pronounced anti-neoplastic activity when tested against various tumor models in animals. The novel compounds of the present invention may be represented by the following formula: ##STR1## wherein X and Y are the same or different and are selected from the group consisting of a phenyl group, each of said phenyl groups being optionally substituted with one or two groups selected from halogen, CF.sub.3, OH, or alkoxy (1-4 C-atoms); and R.sup.1 and R.sup.2 are the same or different, and are each selected from the group consisting of lower alkyl groups having from one to four carbon atoms inclusive, or they form together with the nitrogen atom a saturated five- or six-membered heterocyclic ring; R.sup.3 and R.sup.4 are each selected from hydrogen, lower alkyl or alkenyl groups with from 1-6 carbon atoms inclusive, cyclopentyl or cyclohexyl; and n is 0 or 1, as well as pharmaceutically acceptable acid addition salts thereof. When X is different from Y and/or R.sup.3 is different from R.sup.4 the compounds of Formula I exist as optical isomers, which may be separated in the individual enantiomers, which often show the activity in different degree. These individual isomers as well as their isolation fall within the scope of the present invention.

  本发明涉及新型氨基烷基取代脲衍生物及其与药学上可接受的酸的酸加成盐，制备上述衍生物的方法，含有相同成分的制药组合物以及一种用于治疗肿瘤的方法。在动物的各种肿瘤模型中测试时，这种新型脲衍生物表现出明显的抗肿瘤活性。本发明的新型化合物可以由以下公式表示：##STR1## 其中，X和Y相同或不同，选自苯基，每个苯基可以选择性地用卤素、CF.sub.3、OH或烷氧基（1-4个碳原子）中的一种或两种基团进行取代；R.sup.1和R.sup.2相同或不同，选自具有1-4个碳原子的较低烷基基团，或者它们与氮原子一起形成饱和的五元或六元杂环环；R.sup.3和R.sup.4各自选自氢、较低的烷基或烯基基团，具有1-6个碳原子，环戊基或环己基；n为0或1，以及药学上可接受的酸加成盐。当X与Y不同时，或R.sup.3与R.sup.4不同时，公式I的化合物存在光学异构体，这些异构体可以分离为单独的对映体，通常表现出不同程度的活性。这些单独的异构体及其分离均属于本发明的范围。
• Novel aminoalkyl substituted urea derivatives, acid addition salts thereof and enatiomers
  申请人：H. LUNDBECK A/S

  公开号：EP0187700A1

  公开（公告）日：1986-07-16

  Novel aminoalkyl substituted urea derivatives of the formula: wherein X and Y are the same or different and are selected from the group consisting of a phenyl group, each of said phenyl groups being optionally substituted with one or two groups selected from halogen, CF3, OH, or alkoxy (1-4 C-atoms); and R' and R2 are the same or different, and are each selected from the group consisting of lower alkyk groups having from one to four carbon atoms inclusive, or they form together with the nitrogen atom a saturated five-or six-membered heterocyclic ring; R3 anmd R4 are each selected from hydrogen, lower alkyl or alkenyl groups with from 1-6 carbon atoms inclusive, cyclopentyl or cyclohexyl; and n is 0 or 1, as well as pharmaceutically acceptable acid addition salts thereof, and enantiomers, are described as having pronounced anti-neoplastic activity against various tumors. A method for the preparation of the compounds of Formula I is described, as well as pharmaceutical compositions containing a compound of Formula I as an active ingredient.

  式中的新型氨基烷基取代脲衍生物： 其中 X 和 Y 相同或不同，且选自由苯基组成的组，每个苯基任选被一个或两个选自卤素、CF3、OH 或烷氧基（1-4 个 C 原子）的基团取代；R'和 R2 相同或不同，且各自选自由 1 至 4 个碳原子（含）的低级烷基组成的组，或与氮原子一起形成饱和的五或六元杂环；R3 和 R4 各自选自由氢、1 至 6 个碳原子（含）的低级烷基或烯基、环戊基或环己基；n 为 0 或 1，以及其药学上可接受的酸加成盐、 以及对映体、 对各种肿瘤具有明显的抗肿瘤活性。 还描述了制备式 I 化合物的方法，以及含有式 I 化合物作为活性成分的药物组合物。
• PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：EP0852494A2

  公开（公告）日：1998-07-15
• US4650900A
  申请人：——

  公开号：US4650900A

  公开（公告）日：1987-03-17
• US5994372A
  申请人：——

  公开号：US5994372A

  公开（公告）日：1999-11-30