n-butyl deoxycholate | 135013-43-3

• 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: n-butyl deoxycholate
• 英文别名: butyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
• CAS: 135013-43-3
• 化学式: C₂₈H₄₈O₄
• 分子量: 448.687
• InChiKey: YIZCDUINELDKCC-BJICXTOASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Process for the preparation of deoxycholic acid
  申请人：Glenmark Life Sciences Limited

  公开号：US10858387B2

  公开（公告）日：2020-12-08

  The present invention provides a process for preparation of deoxycholic acid or salt thereof; the process comprises the steps of reacting the compound of formula II to obtain a compound of formula III; the compound of formula III is converted to a compound of formula IV and the compound of formula IV is converted to deoxycholic acid. The present invention also provides a process for the purification of deoxycholic acid or salt thereof.

  本发明提供了一种制备脱氧胆酸或其盐的工艺；该工艺包括以下步骤：使式 II 化合物反应得到式 III 化合物；式 III 化合物转化为式 IV 化合物，式 IV 化合物转化为脱氧胆酸。本发明还提供了一种纯化脱氧胆酸或其盐的工艺。
• USE OF STEROIDAL COMPOUNDS AS ANTI-FUNGAL AGENTS
  申请人：NATIONAL RESEARCH DEVELOPMENT CORPORATION

  公开号：EP0470995A1

  公开（公告）日：1992-02-19
• PROCESS FOR THE PREPARATION OF DEOXYCHOLIC ACID
  申请人：Glenmark Life Sciences Limited

  公开号：US20200140478A1

  公开（公告）日：2020-05-07

  The present invention provides a process for preparation of deoxycholic acid or salt thereof; the process comprises the steps of reacting the compound of formula II to obtain a compound of formula III; the compound of formula III is converted to a compound of formula IV and the compound of formula IV is converted to deoxycholic acid. The present invention also provides a process for the purification of deoxycholic acid or salt thereof.
• US5266566A
  申请人：——

  公开号：US5266566A

  公开（公告）日：1993-11-30
• [EN] USE OF STEROIDAL COMPOUNDS AS ANTI-FUNGAL AGENTS
  申请人：NATIONAL RESEARCH DEVELOPMENT CORPORATION

  公开号：WO1990013298A1

  公开（公告）日：1990-11-15

  (EN) Compounds of general formula (2), wherein X is a hydrogen atom or a hydroxyl group, Y is a hydrogen atom or a hydroxyl group and R is an alkyl group of 1 to 4 carbon atoms, have anti-fungal activity, especially against organisms selected from $i(Candida) spp. and the athlete's foot organism $i(Trichophyton mentagrophytes) and the ringworm organism $i(Microsporum audonii). Further, the compounds wherein X and R are hydrogen atoms and Y is a hydroxyl group (or its non-toxic salts) are useful against $i(Microsporum audonii).(FR) Composé de formule générale (2), où X est un atome d'hydrogène ou un groupe hydroxyle, Y est un atome d'hydrogène ou un groupe hydroxyle et R est un groupe alcoyle de 1 à 4 atomes de carbone, présentent une activité antifongique, en particulier contre des organismes choisis parmi $i(Candida) spp, celui de la mycose $i(Trichophyton mentagrophytes) et celui de la dermatophytose $i(Microsporum audounii). De plus, les composés où X et R sont des atomes d'hydrogène et Y est un groupe hydroxyle (ou ses sels non toxiques) sont efficaces contre le $i(Microsporum audounii).