isopropyl 2-acetamidobenzoate | 82679-09-2

• 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: isopropyl 2-acetamidobenzoate
• 英文别名: Propan-2-yl 2-acetamidobenzoate
• CAS: 82679-09-2
• 化学式: C₁₂H₁₅NO₃
• 分子量: 221.256
• InChiKey: NUMQASUFULHINB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  邻氨基苯甲酸 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.17h， 生成 isopropyl 2-acetamidobenzoate
  参考文献：
  名称：

  微波辐射条件下2-甲基-4H-3,1-苯并恶嗪-4-酮和2-甲基-4H-吡啶并[2,3-d] [1,3]恶嗪-4-酮的反应性

  摘要：

  可变取代的2-甲基-4 H -3,1-苯并恶嗪-4-酮和2-甲基-4 H吡啶并[2,3- d ] [1,3]恶嗪-4-酮对碳和氯的反应性研究了微波辐照条件下的氧亲核试剂。恶嗪酮与碳亲核试剂的反应条件的优化导致高产率合成了一系列4-羟基喹啉-2-酮和4-羟基-1,8-萘啶-2-酮，但反应多种多样多种醇顺利进行，形成了相应的N-乙酰基邻氨基苯甲酸酯和烟酸酯。

  DOI：

  10.1002/jhet.1869

文献信息

• Substituted pyrazoles as p38 kinase inhibitors
  申请人：Naraian S. Ashok

  公开号：US20070078146A1

  公开（公告）日：2007-04-05

  A class of pyrazole derivatives is described for use in treating p38 kinase medicated disorders. Compounds of particular interest are defined by Formula IA wherein R 1 , R 2 , R 3 and R 4 are as described in the specification.

  描述了一类吡唑衍生物，用于治疗p38激酶介导的疾病。特别感兴趣的化合物由公式IA定义，其中R1、R2、R3和R4如规范中所述。
• Acylanthranils. 11. Reaction of acylanthranils with alcohols to give the corresponding esters
  作者：L. A. Errede、P. E. Ashley、J. J. McBrady、D. R. Yarian

  DOI：10.1021/jo00141a004

  日期：1982.9
• ERREDE, L. A.;ASHLEY, P. E.;MCBRADY, J. J.;YARIAN, D. R., J. ORG. CHEM., 1982, 47, N 20, 3825-3828
  作者：ERREDE, L. A.、ASHLEY, P. E.、MCBRADY, J. J.、YARIAN, D. R.

  DOI：——

  日期：——
• COMPOUNDS AND COMPOSITIONS FOR USE IN THE TREATMENT AND PREVENTION OF CANCER AND PRECANCEROUS CONDITIONS, INFLAMMATION-RELATED DISORDERS, PAIN AND FEVER
  申请人：Medicon Pharmaceuticals, Inc.

  公开号：US20140121185A1

  公开（公告）日：2014-05-01

  Novel compounds and pharmaceutical compositions thereof for the treatment and/or prevention of cancer and precancerous conditions, inflammation-related disorders, pain and fever.
• COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF INFLAMMATION-RELATED DISORDERS, PAIN AND FEVER, SKIN DISORDERS, CANCER AND PRECANCEROUS CONDITIONS THEREOF
  申请人：Medicon Pharmaceuticals, Inc.

  公开号：US20140315834A1

  公开（公告）日：2014-10-23

  The present invention provides novel compounds and pharmaceutical compositions for the prevention and/or treatment of cancer and precancerous conditions thereof, for the treatment of pain and fever, for the treatment of skin disorders, and for treating and/or preventing inflammation-related diseases and/or cardiovascular diseases. The compounds of the invention also have analgesic properties and anti-platelet properties. The compounds of the invention may be provided to animals, including mammals and humans, by administering a suitable pharmaceutical dose in a suitable pharmaceutical dosage form. The compounds of the invention have improved efficacy and safety, including higher potency and/or fewer or less severe side effects, than conventional therapies. The compounds of the invention comprise a biologically active moiety or portion (A) that has, or is modified to have at least one carboxyl group. The moiety A is preferably an aliphatic, aromatic or alkylaryl group, preferably derived from a non-steroidal anti-inflammatory drug or NSAID (A). The moiety A is bound to a linker moiety (B) via the carboxyl of group A and a linking atom that is selected from oxygen, nitrogen, and sulphur, to form a carboxylic ester, and amide, or a thioester, bond (X 1 ) between groups A and B. Moiety B is a single bond, an aliphatic group, a substituted benzene, or an alkylene substituted hydrocarbon chain, which in turn is bound to functional moiety Z, which facilitates access of the compound into cells. The moiety Z can comprise, for example, a phosphorous-containing group, a nitrogen-containing group, or a folic acid residue.