33-[(3-氨基-3,6-二脱氧吡喃己糖苷)氧基]-1,3,5,6,9,11,17,37-八羟基-15,16,18-三甲基-13-氧代-14,39-二氧杂双环[33.3.1]三十九碳-19,21,25,27,29,31-己烯-36-羧酸 | 1405-32-9

• 物质功能分类: 分析化学 - 对照品
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 33-[(3-氨基-3,6-二脱氧吡喃己糖苷)氧基]-1,3,5,6,9,11,17,37-八羟基-15,16,18-三甲基-13-氧代-14,39-二氧杂双环[33.3.1]三十九碳-19,21,25,27,29,31-己烯-36-羧酸
• 英文名称: Amphotericin A
• 英文别名: (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
• CAS: 1405-32-9
• 化学式: C₄₇H₇₅NO₁₇
• 分子量: 926.1
• InChiKey: QGGFZZLFKABGNL-MOISJGEISA-N

物化性质

• 沸点：
  1132.2±65.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  65
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  320
• 氢给体数：
  12
• 氢受体数：
  18

文献信息

• REDUCED TOXICITY MOLECULAR CONJUGATES OF ANTI-FUNGAL AGENTS
  申请人：Lehigh University

  公开号：US20170042923A1

  公开（公告）日：2017-02-16

  Compositions, compounds and methods are described for addressing both toxicity of membrane disruptive anti-microbial agents as well as poor transport of such agents across the blood-brain-barrier (BBB) via the use of molecular appendages including one or more facial amphiphiles. These molecules have in vitro anti-fungal activity that is very similar to that of the native drug but with hemolytic activity and toxicity towards mammalian cells that is greatly reduced.

  描述了用于解决膜破坏型抗微生物药物的毒性以及这些药物在穿越血脑屏障（BBB）时的运输不良的构成物、化合物和方法，通过使用包括一个或多个脸部两性分子在内的分子附件。这些分子在体外具有与原始药物非常相似的抗真菌活性，但对哺乳动物细胞的溶血活性和毒性大大降低。
• REACTIVITY-BASED SCREENING FOR NATURAL PRODUCT DISCOVERY
  申请人：THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS

  公开号：US20170227545A1

  公开（公告）日：2017-08-10

  A method of identifying a natural product comprising NP—[X] n is provided. The method includes several steps. The first step includes selecting an organism having a biosynthetic pathway for producing the natural product comprising NP—[X] n using a bioinformatics algorithm. The second step includes preparing a sample suspected to contain NP—[X] n including a complex cellular metabolite mixture from an organism. The third step includes reacting the sample suspected to contain NP—[X] n with reactivity probe Y according to Scheme I: Scheme I. NP—[X] n represents a natural product NP having a chemical moiety X that is susceptible to chemical modification by reactivity probe Y to form at least one product adduct NP—[X] n-m [Z] n in which chemical moiety X reacts with reactivity probe Y to form adduct Z, wherein n ranges from 1 to about 10 and m is at least 1 and m≦n. The fourth step includes optionally dereplicating the product collection of at least one known labeled metabolite to provide a depleted product collection including at least one unknown labeled metabolite. The fifth step includes determining the structure of the at least one unknown labeled metabolite, thereby identifying the natural product comprising NP—[X] n .
• RESTORING PHYSIOLOGY WITH SMALL MOLECULE MIMICS OF MISSING PROTEINS
  申请人：The Board of Trustees of the University of Illinois

  公开号：US20180015115A1

  公开（公告）日：2018-01-18

  Disclosed are methods for treating a disease or condition characterized by decreased expression or reduced function of an ion channel, comprising administering to a subject in need thereof a therapeutically effective amount of a pore-forming polyene macrolide or pore-forming derivative thereof. For example, the pore-forming polyene macrolide may be amphotericin B (AmB), nystatin, or natamycin. The methods can be used to treat cystic fibrosis.