3-(3,4-Dimethylphenyl)-2-oxopropanoic acid | 115522-13-9

• 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-(3,4-Dimethylphenyl)-2-oxopropanoic acid
• CAS: 115522-13-9
• 化学式: C₁₁H₁₂O₃
• 分子量: 192.214
• InChiKey: LVOQCQHGSGURKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  碘甲烷 、 3-(3,4-Dimethylphenyl)-2-oxopropanoic acid 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 3-(3,4-dimethyl-phenyl)-3-methyl-2-oxo-butyric acid
  参考文献：
  名称：

  Synthesis and activity of novel analogs of hemiasterlin as inhibitors of tubulin polymerization: modification of the A segment

  摘要：

  Analogs of hemiasterlin (1) and HTI-286 (2), which contain various aromatic rings in the A segment, were synthesized as potential inhibitors of tubulin polymerization. The structure-activity relationships related to stereo- and regio-chemical effects of substituents on the aromatic ring in the A segment were studied. Analogs, which carry a meta-substituted phenyl ring in the A segment show comparable activity for inhibition of tubulin polymerization to 2, as well as in the cell proliferation assay using KB cells containing P-glycoprotein, compared to those of 1 and 2. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.024
• 作为产物：
  描述：

  3,4-二甲基苯甲醛 在 sodium hydroxide 、 sodium acetate 、 乙酸酐 作用下， 反应 10.0h， 生成 3-(3,4-Dimethylphenyl)-2-oxopropanoic acid
  参考文献：
  名称：

  Synthesis and activity of novel analogs of hemiasterlin as inhibitors of tubulin polymerization: modification of the A segment

  摘要：

  Analogs of hemiasterlin (1) and HTI-286 (2), which contain various aromatic rings in the A segment, were synthesized as potential inhibitors of tubulin polymerization. The structure-activity relationships related to stereo- and regio-chemical effects of substituents on the aromatic ring in the A segment were studied. Analogs, which carry a meta-substituted phenyl ring in the A segment show comparable activity for inhibition of tubulin polymerization to 2, as well as in the cell proliferation assay using KB cells containing P-glycoprotein, compared to those of 1 and 2. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.024

文献信息

• L-phenylalanine dehydrogenase and use thereof
  申请人：SAGAMI CHEMICAL RESEARCH CENTER

  公开号：EP0206460A2

  公开（公告）日：1986-12-30

  New L-phenylalanine dehydrogenases produced by a microorganism belonging to the genus Sporosarcina or Bacillus, new microorganisms capable of L-phenylalanine dehydrogenase and belonging to the genus Sporosarcina or Bacillus, a process for production of L-phenylalanine dehydrogenase using the microorganisms, and processes for production of L-amino acids using the enzymes or the microorganisms.

  由属于孢子丝菌属或芽孢杆菌属的微生物产生的新型 L-苯丙氨酸脱氢酶，能够产生 L-苯丙氨酸脱氢酶且属于孢子丝菌属或芽孢杆菌属的新型微生物，使用该微生物生产 L-苯丙氨酸脱氢酶的工艺，以及使用该酶或该微生物生产 L-氨基酸的工艺。
• US4849345A
  申请人：——

  公开号：US4849345A

  公开（公告）日：1989-07-18
• Synthesis and activity of novel analogs of hemiasterlin as inhibitors of tubulin polymerization: modification of the A segment
  作者：Ayako Yamashita、Emily B. Norton、Joshua A. Kaplan、Chuan Niu、Frank Loganzo、Richard Hernandez、Carl F. Beyer、Tami Annable、Sylvia Musto、Carolyn Discafani、Arie Zask、Semiramis Ayral-Kaloustian

  DOI：10.1016/j.bmcl.2004.08.024

  日期：2004.11

  Analogs of hemiasterlin (1) and HTI-286 (2), which contain various aromatic rings in the A segment, were synthesized as potential inhibitors of tubulin polymerization. The structure-activity relationships related to stereo- and regio-chemical effects of substituents on the aromatic ring in the A segment were studied. Analogs, which carry a meta-substituted phenyl ring in the A segment show comparable activity for inhibition of tubulin polymerization to 2, as well as in the cell proliferation assay using KB cells containing P-glycoprotein, compared to those of 1 and 2. (C) 2004 Elsevier Ltd. All rights reserved.