4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)pentopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,7-dideoxyheptopyranoside | 49863-47-0

• 物质功能分类: 无机化工 - 无机盐 - 金属硫化物及硫酸盐
• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)pentopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,7-dideoxyheptopyranoside
• 英文别名: 2-[4,6-diamino-3-[3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
• CAS: 49863-47-0
• 化学式: C₂₀H₄₀N₄O₁₀
• 分子量: 496.6
• InChiKey: BRZYSWJRSDMWLG-UHFFFAOYSA-N

物化性质

• 熔点：
  >193°C (dec.)
• 沸点：
  760.3±60.0 °C(Predicted)
• 密度：
  1.47±0.1 g/cm3(Predicted)
• 溶解度：
  H2O:50 mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  -5.8
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  248
• 氢给体数：
  10
• 氢受体数：
  14

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S22,S24/25
• 危险类别码：
  R20/21/22
• WGK Germany：
  3

文献信息

• [EN] 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES<br/>[FR] COMPOSÉS DE 4-(BENZOIMIDAZOL-2-YLE)-THIAZOLE ET DÉRIVÉS AZA ASSOCIÉS
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2013114332A1

  公开（公告）日：2013-08-08

  The invention relates to compounds of Formula (I) wherein ring A, X, (R1)n, R2, R3, R4, R4', R5, n, and p are as described in the description; to pharmaceutically acceptable salts thereof, and to the use of such compounds as medicaments, especially as modulators of the CXCR3 receptor.

  本发明涉及式(I)化合物，其中环A、X、(R1)n、R2、R3、R4、R4'、R5、n和p如描述中所述；涉及药用可接受的盐，以及将此类化合物用作药物，尤其是用作CXCR3受体的调节剂。
• 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：EP2809668A1

  公开（公告）日：2014-12-10
• USE OF AMINOGLYCOSIDE ANALOGS IN THE TREATMENT OF RETT SYNDROME
  申请人：Eloxx Pharmaceuticals Ltd.

  公开号：US20170360817A1

  公开（公告）日：2017-12-21

  Compounds, methods and uses of pseudo-trisaccharide aminoglycosides represented by the general formula I: or a pharmaceutically acceptable salt thereof, wherein R 1 is selected from the group consisting of alkyl, cycloalkyl and aryl; and all other variables and features are as described in the specification, in the treatment of Rett syndrome are disclosed.
• [EN] SUPPRESSORS OF PREMATURE TERMINATION CODONS AS THERAPEUTICS AND METHODS FOR THEIR USE<br/>[FR] SUPPRESSEURS DE CODONS DE TERMINAISON PRÉMATURÉS EN TANT QU'AGENTS THÉRAPEUTIQUES ET LEURS MÉTHODES D'UTILISATION
  申请人：UNIV BRITISH COLUMBIA

  公开号：WO2017049386A1

  公开（公告）日：2017-03-30

  This invention discloses the use of aminoglycoside antibiotics such as gentamicin Bl to suppress premature termination codons during translation and promote the full length read-through of transcripts such as p53 that incorporate nonsense mutations and to treat disease conditions such as cancer caused by such genetic mutations.