astromicin

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: astromicin
• 英文别名: 2-amino-N-[(1S,2R,3R,4S,5S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-(1-aminoethyl)tetrahydropyran-2-yl]oxy-2,5-dihydroxy-6-methoxy-cyclohexyl]-N-methyl-acetamide；2-amino-N-[(1S,2R,3R,4S,5S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-methoxycyclohexyl]-N-methylacetamide
• 化学式: C₁₇H₃₅N₅O₆
• 分子量: 405.495
• InChiKey: BIDUPMYXGFNAEJ-FFRPCIIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.4
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  193
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  astromicin 在 palladium on activated charcoal 盐酸 、 氢气 、 碳酸氢钠 、 1-羟基苯并三唑一水物 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 25.0 ℃ 、303.98 kPa 条件下， 反应 54.5h， 生成 4-N-sarcosyl-1,2',6',2''-N-benzyloxycarbonylfortimicin B tetrahydrochloride
  参考文献：
  名称：

  4-N-acylfortimicins b and the preparation of fortimicin a from fortimicin B

  摘要：

  Selective 4-N-acylation of fortimicin B (2) has been accomplished by 4-N-acylation of 1,2',6'-tri-N-benzyloxycarbonylfortimicin B (4) followed by hydrogenolysis of the N-protecting benzyloxycarbonyl groups. In this manner, fortimicin B was converted into fortimicin A (1), and a series of 4-N-acylfortimicins B (3) was prepared for antibacterial assay. The key intermediate, 1,2',6'-tri-N-benzyloxycarbonylfortimicin B, was prepared either directly from fortimicin B or by converting fortimicin A into 1,2',6',2''-tetra-N-benzyloxycarbonylfortimicin A (6a), followed by selective hydrolysis of the 4-N-(N-benzyloxycarbonyl)glycyl group of the latter.

  DOI：

  10.1016/s0008-6215(00)85134-4

文献信息

• ENGINEERED SUBSTRATES FOR HIGH-THROUGHPUT GENERATION OF 3D MODELS OF TUMOR DORMANCY, RELAPSE AND MICROMETASTASES FOR PHENOTYPE SPECIFIC DRUG DISCOVERY AND DEVELOPMENT
  申请人：Rege Kaushal

  公开号：US20200165572A1

  公开（公告）日：2020-05-28

  Methods to form a novel aminoglycoside based hydrogel for high-throughput generation of 3D dormant, relapsed and micrometastatic tumor microenvironments are disclosed. In addition, methods of screening agents against tumor cells grown in the 3D environments disclosed herein that include, for example, screening of lead drugs and therapies for an effect on dormant, relapsed and/or micrometastatic tumor cells.
• US9801954B2
  申请人：——

  公开号：US9801954B2

  公开（公告）日：2017-10-31