megalomicin A | 28022-11-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: megalomicin A
• 英文别名: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-[(2S,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
• CAS: 28022-11-9
• 化学式: C₄₄H₈₀N₂O₁₅
• 分子量: 877.124
• InChiKey: LRWRQTMTYVZKQW-WWDNQWNISA-N

物化性质

• 熔点：
  257°C (rough estimate)
• 沸点：
  784.65°C (rough estimate)
• 密度：
  1.1152 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  61
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  227
• 氢给体数：
  6
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  megalomicin A 生成 (9S)-5-O-desosaminyl-9-dihydroerythronolide A
  参考文献：
  名称：

  megalomicins。第四部分 megalomicins A，B，C 1和C 2的结构

  摘要：

  阐明了巨果霉素A，B，C 1和C 2的结构和绝对立体化学，这是由巨果单孢菌（Micromonospora megalomicea sp。）精心制作的一组大环内酯类抗生素。描述。巨型霉素A已显示为（2 R，3 S，4 S，5 R，6 R，8 R，10 R 11 R，12 S，13 R）-3-（2,6-二脱氧-3- C甲基α-大号-核糖-hexopyranosyloxy）-6,12 -二羟基4,6,8,10,12六甲基-9-氧代-11-（2,3,6-三脱氧-3- dimethylalmino -β- d -来苏-hexopyranosyloxy）-5-（3,4,6-三脱氧-3-二甲基氨基- β- d -木糖- hexopyranosyloxy）十五烷-13-内酯。业已证明，巨果霉素B，C 1和C 2是在3-糖基系统中被酰化的巨果霉素A的衍生物。

  DOI：

  10.1039/p19730001374

文献信息

• Active-site engineering of nucleotidylyltransferases and general enzymatic methods for the synthesis of natural and "unnatural" UDP- and TDP-nucleotide sugars
  申请人：——

  公开号：US20030055235A1

  公开（公告）日：2003-03-20

  The present invention provides mutant nucleotidylyl-transferases, such as E p , having altered substrate specificity; methods for their production; and methods of producing nucleotide sugars, which utilize these nucleotidylyl-transferases. The present invention also provides methods of synthesizing desired nucleotide sugars using natural and/or modified Ep or other nucleotidyltransferases; and nucleotide sugars sythesized by the present methods. The present invention further provides new glycosyl phosphates, and methods for making them.

  本发明提供了一种突变型核苷酸转移酶，如E p ，具有改变的底物特异性；其生产方法；以及利用这些核苷酸转移酶生产核苷酸糖的方法。本发明还提供了使用天然和/或修饰的Ep或其他核苷酸转移酶合成所需的核苷酸糖的方法；以及通过本发明方法合成的核苷酸糖。本发明进一步提供了新的糖基磷酸酯，及其制造方法。
• Amido macrolides
  申请人：Kosan Biosciences, Inc.

  公开号：US20030199458A1

  公开（公告）日：2003-10-23

  Various macrolide compounds such as those having the following formulas are provided where the variables have the values provided herein. 1

  各种大环内酯化合物，例如具有以下化学式的化合物，其中变量具有此处提供的值。
• Epothilone derivatives and methods for making and using the same
  申请人：——

  公开号：US20030045711A1

  公开（公告）日：2003-03-06

  This invention relates to compounds of formula (I) 1 and to pharmaceutically acceptable salts and solvates thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , W, X, Y, and Ar are as defined herein. Compounds of formula (I) are useful in the treatment of diseases or conditions characterized by cellular hyperproliferation. This invention also relates to means for the preparation of compounds of formula (I); formulations containing compounds of formula (I); and methods for the use of said compounds and formulations in the treatment of a disease or condition characterized by cellular hyperproliferation, including cancer.

  这项发明涉及公式（I）的化合物及其药用可接受的盐和溶剂化合物，其中R1、R2、R3、R4、R5、W、X、Y和Ar的定义如本文所述。公式（I）的化合物在治疗细胞过度增殖引起的疾病或症状方面是有用的。这项发明还涉及制备公式（I）化合物的方法；含有公式（I）化合物的配方；以及使用所述化合物和配方治疗细胞过度增殖引起的疾病或症状，包括癌症的方法。
• Macrolide antiinfective agents
  申请人：——

  公开号：US20020055472A1

  公开（公告）日：2002-05-09

  The invention is directed towards antibacterial compounds. The invention concerns macrolide antibiotics useful as antiinfective agents.

  这项发明是针对抗菌化合物的。该发明涉及可用作抗感染剂的大环内酯抗生素。
• Bio-intermediates for use in the chemical synthesis of polyketides
  申请人：——

  公开号：US20040018598A1

  公开（公告）日：2004-01-29

  The present invention relates to compounds made by a subset of modules from one or more polyketide synthase (“PKS”) genes that are used as starting material in the chemical synthesis of novel molecules, particularly naturally occurring polyketides or derivatives thereof. The biologically derived intermediates (“bio-intermediates”) generally represent particularly difficult compounds to synthesize using traditional chemical approaches due to one or more stereocenters. In one aspect of the invention, an intermediate in the synthesis of epothilone is provided that feeds into the synthetic protocol of Danishefsky and co-workers. In another aspect of the invention, intermediates in the synthesis of discodermolide are provided that feed into the synthetic protocol of Smith and co-workers. By taking advantage of the inherent stereochemical specificity of biological processes, the syntheses of key intermediates and thus the overall syntheses of compounds like epothilone and discodermolide are greatly simplified.

  本发明涉及由一个或多个聚酮合酶合成酶（“PKS”）基因的子模块制备的化合物，这些化合物作为起始物质用于化学合成新颖分子，特别是天然存在的聚酮类化合物或其衍生物。生物衍生的中间体（“生物中间体”）通常代表着尤其难以使用传统化学方法合成的化合物，因为其中一个或多个立体中心。在本发明的一个方面，提供了用于累积素合成的中间体，该中间体进入Danishefsky及其同事的合成方案。在本发明的另一个方面，提供了用于二十碳二烯酮合成的中间体，这些中间体进入Smith及其同事的合成方案。通过利用生物过程固有的立体化学特异性，关键中间体的合成以及诸如累积素和二十碳二烯酮等化合物的整体合成大大简化了。