[4-ethyl-4-[[2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetyl]amino]hexyl] dihydrogen phosphate

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: [4-ethyl-4-[[2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetyl]amino]hexyl] dihydrogen phosphate
• 化学式: C₂₈H₃₅FNO₆PS
• 分子量: 563.6
• InChiKey: CDMXSNWCSGARDA-JLPGSUDCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  38
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  132
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• 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：Rigas, Basil

  公开号：EP2897621A2

  公开（公告）日：2015-07-29
• [EN] COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF INFLAMMATION-RELATED DISORDERS, PAIN AND FEVER, SKIN DISORDERS, CANCER AND PRECANCEROUS CONDITIONS THEREOF<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR UNE UTILISATION DANS LA PRÉVENTION ET LE TRAITEMENT DE TROUBLES ASSOCIÉS À L'INFLAMMATION, DE LA DOULEUR ET DE LA FIÈVRE, DE TROUBLES DE LA PEAU, DU CANCER ET D'ÉTATS PRÉCANCÉREUX DE CELUI-CI
  申请人：RIGAS BASIL

  公开号：WO2014047592A2

  公开（公告）日：2014-03-27

  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 sulpher, to form a carboxylic ester, and amide, or a thioester, bond (X1) 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.