(2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione;hydrate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 四环素类
• 英文名称: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione;hydrate
• 化学式: C22H26N2O9
• 分子量: 462.4
• InChiKey: ADAURKPGCFUREH-UQVCFKGQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.33
• 重原子数：
  33
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  183
• 氢给体数：
  7
• 氢受体数：
  11

文献信息

• METHODS FOR DETECTING AND/OR PREDICTING AGE-RELATED MACULAR DEGENERATION AND/OR ALZHEIMER'S DISEASE
  申请人：University of Maryland, Baltimore

  公开号：EP3504554A1

  公开（公告）日：2019-07-03
• TREATMENT FOR PROGRESSIVE MULTIPLE SCLEROSIS
  申请人：UTI LIMITED PARTNERSHIP

  公开号：US20190262353A1

  公开（公告）日：2019-08-29

  In one aspect, there is provided a method of treating, prophylaxis, or amelioration of a neurological disease by administering to a subject in need thereof one or more compounds described herein. In a specific example, the neurological disease is multiple sclerosis (also referred to as “MS”).
• US7927613B2
  申请人：——

  公开号：US7927613B2

  公开（公告）日：2011-04-19
• [EN] MURICHOLIC ACID-BASED COMPOUNDS AS INHIBITORS OF CLOSTRIDIUM DIFFICILE SPORE GERMINATION<br/>[FR] COMPOSÉS À BASE D'ACIDE MURICHOLIQUE SERVANT D'INHIBITEURS DE GERMINATION DE SPORES DE CLOSTRIDIUM DIFFICILE
  申请人：TEXAS A & M UNIV SYS

  公开号：WO2015076788A1

  公开（公告）日：2015-05-28

  The present invention relates to pharmaceutical compositions containing muricholic acid-based compounds, as well as methods of treatment, and methods of screening that use these compounds and compositions.
• [EN] METHODS FOR DETECTING AND/OR PREDICTING AGE-RELATED MACULAR DEGENERATION AND/OR ALZHEIMER'S DISEASE<br/>[FR] PROCÉDÉS DE DÉTECTION ET/OU DE PRÉDICTION DE LA DÉGÉNÉRESCENCE MACULAIRE LIÉE À L'ÂGE ET/OU DE LA MALADIE D'ALZHEIMER
  申请人：UNIV MARYLAND

  公开号：WO2018039030A1

  公开（公告）日：2018-03-01

  The present invention provides for the use of hydroxyapatite-selective fluorescent dyes in combination with fluorescence lifetime imaging to detect any hydroxyapatite spherules or hydroxyapatite deposits in the retina tissue of a subject, including the peripheral or macula tissue, wherein the hydroxyapatite spherules or hydroxyapatite deposits initiate or support the growth of sub-RPE deposits and correlates with age-related macular degeneration and/or Alzheimer's disease.