2α-methylcortisol | 3836-17-7

• 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: 2α-methylcortisol
• 英文别名: 11β,17,21-trihydroxy-2α-methyl-pregn-4-ene-3,20-dione；11β,17,21-Trihydroxy-2α-methyl-pregn-4-en-3,20-dion；11b,17,21-Trihydroxy-2a-methyl-4-pregnene-3,20-dione；(2R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
• CAS: 3836-17-7
• 化学式: C₂₂H₃₂O₅
• 分子量: 376.493
• InChiKey: UPQZFJLURANFLH-DZDRLISQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  94.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2α-methylcortisol 生成 11β,17,21-trihydroxy-2-methyl-pregna-1,4-diene-3,20-dione
  参考文献：
  名称：

  2-methyl-1 dehydro hydrocortisone, 21-esters and 11-keto analogues thereof

  摘要：

  公开号：

  US03009937A1
• 作为产物：
  描述：

  21-acetoxy-11β,17-dihydroxy-2α-methyl-pregn-4-ene-3,20-dione 在 甲醇 、 potassium hydrogencarbonate 作用下， 生成 2α-methylcortisol
  参考文献：
  名称：

  THE ADRENAL HORMONES AND RELATED COMPOUNDS. III. SYNTHESIS OF 2-ALKYL ANALOGS¹

  摘要：

  DOI：

  10.1021/ja01628a117

文献信息

• 2-methyl steroids and process
  申请人：UPJOHN CO

  公开号：US02865935A1

  公开（公告）日：1958-12-23
• COMBINATION OF STEROIDS HAVING TRANSPORTER-ENHANCED CORTICOSTEROID ACTIVITY
  申请人：Bodor, Nicholas S.

  公开号：EP2026818B1

  公开（公告）日：2010-12-22
• Transporter enhanced corticosteroid activity
  申请人：Bodor S. Nicholas

  公开号：US20080004246A1

  公开（公告）日：2008-01-03

  Methods and compositions for enhancing the activity and/or duration of action of loteprednol etabonate and other soft anti-inflammatory steroids of the haloalkyl 17α-alkoxycarbonyloxy-11β-hydroxyandrost-4-en-3-one-17β-carboxylate type and the corresponding Δ 1,4 -compounds are described. The enhancing agents have the formula: wherein Z 1 is carbonyl, β-hydroxymethylene or methylene; R 2 is H, —OH or —OCOR 3 wherein R 3 is C 1 -C 5 alkyl; Y is —OH, —SH or —OCOR 4 wherein R 4 is C 1 -C 5 alkyl, cyclopentylethyl or diethylaminoethyl; and the dotted line in ring A indicates that the 1,2-linkage is saturated or unsaturated.
• Treatment of myocardial infarction with 11HSD1 inhibitors
  申请人：Walker R. Brian

  公开号：US20080033046A1

  公开（公告）日：2008-02-07

  The present invention relates to a method for the treatment of myocardial infarction. In particular the invention relates to the treatment of myocardial infarction using inhibitors of a particular enzyme involved in glucocorticoid metabolism.
• TRANSPORTER-ENHANCED CORTICOSTEROID ACTIVITY AND METHODS AND COMPOSITIONS FOR TREATING DRY EYE
  申请人：Bodor Nicholas S.

  公开号：US20080194468A1

  公开（公告）日：2008-08-14

  Methods and compositions for enhancing the activity and/or duration of action of loteprednol etabonate and other soft anti-inflammatory steroids of the haloalkyl 17α-alkoxycarbonyloxy-11β-hydroxyandrost-4-cn-3-one-17β-carboxylate type and the corresponding Δ 1,4 -compounds are described. The enhancing agents have the formula: wherein Z 1 is carbonyl, β-hydroxymethylene or methylene; R 2 is H, —OH or —OCOR 3 wherein R 3 is C 1-5 alkyl; Y is —OH, —SH or —OCOR 4 wherein R 4 is C 1-5 alkyl, cyclopentylethyl or diethylaminoethyl; and the dotted line in ring A indicates that the 1,2-linkage is saturated or unsaturated. Ophthalmic administration in the treatment of dry eye is specifically targeted.