(22S,23S)-22,23-dihydroxyergost-4-en-3-one | 1101061-36-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (22S,23S)-22,23-dihydroxyergost-4-en-3-one
• 英文别名: (8S,9S,10R,13S,14S,17R)-17-[(2S,3S,4S,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
• CAS: 1101061-36-2
• 化学式: C₂₈H₄₆O₃
• 分子量: 430.671
• InChiKey: PCLHVGYGQYOJEF-AJOVCOEUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• COMPOUND SHOWING ANTI-INFLAMMATORY ACTIVITY AND ANTIVIRAL ACTIVITY, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, A PROCESS FOR OBTAINING THE SAME AND USE OF THE SAME IN THE TREATMENT OF EPIDEMIC KERATOCONJUNCTIVITES AND HERPETIC STROMAL KERATIS
  申请人：Ramirez Javier Alberto

  公开号：US20100120735A1

  公开（公告）日：2010-05-13

  The present invention refers to a compound having anti-inflammatory and antiviral activity according to the following structural formula: wherein, R 1 and R 3 are selected from H, HO—, R 5 —O—, HCOO—, R 5 —COO—, —OOC—R 6 —COO—, p-toluene sulphonate, phosphate, tartrate, maleate, sulphate, fluorine, chlorine, bromine, iodine and methanesulphonate, R 2 is selected from H, HO—, R 5 —O—, HCOO—, R 5 —COO—, —OOC—R 6 —COO—, p-toluene sulphonate, phosphate, tartrate, maleate, sulphate, fluorine, chlorine, bromine, and iodine, or —R 1 and —R 2 can be together —O—, (CH 3 ) 2 —(CO) 2 -(ó-(CH 3 —CH 2 ) 2 —(CO) 2 — R 4 and R 5 are selected from H and linear or branched C 1 -C 4 alkyl, R 6 is —(CH 2 )n equals to 1, 2 ó 3, and, can be a single bond or double bond, to the pharmaceutical compositions comprising the same, to a process for preparing the same and to the use of the same for preparing pharmaceutical compositions. Particularly, the compounds of the invention are particularly useful for preparing ophthalmic pharmaceuticals for the treatment of diseases caused by adenovirus and preferably, epidemic keratoconjunctivitis. Also, the compounds of the invention are particularly useful for preparing ophthalmic pharmaceuticals for the treatment of diseases caused by the herpes simplex type 1 (HSV-1) and preferably, herpetic stromal keratitis (HK).

  本发明涉及具有以下结构式的具有抗炎和抗病毒活性的化合物：其中，R1和R3选自H，HO—，R5—O—，HCOO—，R5—COO—，—OOC—R6—COO—，对甲苯磺酸盐，磷酸盐，酒石酸盐，马来酸盐，硫酸盐，氟，氯，溴，碘和甲磺酸盐，R2选自H，HO—，R5—O—，HCOO—，R5—COO—，—OOC—R6—COO—，对甲苯磺酸盐，磷酸盐，酒石酸盐，马来酸盐，硫酸盐，氟，氯，溴和碘，或—R1和—R2可以是—O—，（CH3）2—（CO）2—（ó-（ —CH2）2—（CO）2—R4和R5选自H和线性或支链的C1-C4烷基，R6为—（ ）n，n为1，2或3，可以是单键或双键，以及包含它们的制药组合物，制备它们的方法以及用于制备制药组合物的用途。特别是，本发明的化合物特别适用于制备用于治疗由腺病毒引起的疾病，特别是流行性角膜结膜炎的眼科药物。此外，本发明的化合物特别适用于制备用于治疗由单纯疱疹病毒类型1（HSV-1）引起的疾病，特别是疱疹性角膜炎（HK）的眼科药物。
• A COMPOUND SHOWING ANTI-INFLAMMATORY ACTIVITY AND ANTIVIRAL ACTIVITY, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, A PROCESS FOR OBTAINING THE SAME AND USE OF THE SAME IN THE TREATMENT OF EPIDEMIC KERATOCONJUNCTIVITES AND HERPETIC STROMAL KERATIS
  申请人：Consejo Nacional De Investigaciones Cientificas Y Tecnicas (Conicet)

  公开号：EP2178898B1

  公开（公告）日：2016-02-24
• US8431554B2
  申请人：——

  公开号：US8431554B2

  公开（公告）日：2013-04-30