demycarosyltylosin | 11032-98-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: demycarosyltylosin
• 英文别名: 2-[(11E,13E)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
• CAS: 11032-98-7
• 化学式: C₃₉H₆₅NO₁₄
• 分子量: 771.943
• InChiKey: QRPHLEPFYLNRDA-QHRGAKLKSA-N

物化性质

• 熔点：
  114-116 °C(Solv: chloroform (67-66-3))
• 沸点：
  896.7±65.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  54
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  200
• 氢给体数：
  4
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  demycarosyltylosin 在 chromium(VI) oxide 、 盐酸 、 间氯过氧苯甲酸 作用下， 以 吡啶 、 氯仿 为溶剂， 反应 29.0h， 生成 (7E,9E)-(3aR,5R,11R,12R,16R,17S,17aS)-12-Ethyl-16-hydroxy-11-hydroxymethyl-5,9,17-trimethyl-3,3a,4,5,11,12,15,16,17,17a-decahydro-1,13-dioxa-cyclopentacyclohexadecene-2,6,14-trione
  参考文献：
  名称：

  泰乐菌素（一种16元大环内酯类化合物）的化学转化及其构效关系。

  摘要：

  泰乐菌素是一种16元大环内酯抗生素,用作兽用抗菌剂。本文描述了通过酸水解和碱性处理泰乐菌素获得的一种新型缩合产物的结构,以及通过改良的Polonovski反应从泰乐菌素中分离得到的无糖部分,即泰乐菌素5,20缩醛。此外,本文还描述了泰乐菌素生物合成中间体及相关化合物的合成,以及结构与抗菌活性之间的关系。

  DOI：

  10.1248/cpb.30.97
• 作为产物：
  描述：

  15-[[(6-deoxy-2,6-di-O-methyl-β-D-allopyranosyl)-oxy]methyl]-6-[[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-α-L-ribo-hexapyranosyl)-3-(dimethylamino)-β-D-glucopyranosyl]oxy]-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-oxo-oxocyclo-hexadeca-11,13-diene-7... 在 盐酸 作用下， 反应 4.0h， 生成 demycarosyltylosin
  参考文献：
  名称：

  泰乐菌素（一种16元大环内酯类化合物）的化学转化及其构效关系。

  摘要：

  泰乐菌素是一种16元大环内酯抗生素,用作兽用抗菌剂。本文描述了通过酸水解和碱性处理泰乐菌素获得的一种新型缩合产物的结构,以及通过改良的Polonovski反应从泰乐菌素中分离得到的无糖部分,即泰乐菌素5,20缩醛。此外,本文还描述了泰乐菌素生物合成中间体及相关化合物的合成,以及结构与抗菌活性之间的关系。

  DOI：

  10.1248/cpb.30.97

文献信息

• Anti-Inflammatory Macrolide Conjugates
  申请人：Mercep Mladen

  公开号：US20080096830A1

  公开（公告）日：2008-04-24

  The present invention relates (a) to new compounds represented by Formula I: wherein M represents a macrolide subunit (macrolide moiety) derived from macrolide possessing the property of accumulation in inflammatory cells, D represents a dibenzo[e,h]azulene subunit with anti-inflammatory, analgesic and/or antipyretic activity and L represents a linking group covalently linking M and D; (b) to their pharmacologically acceptable salts, prodrugs and solvates, (c) to processes and intermediates for their preparation, and (d) to their use in the treatment of inflammatory diseases and conditions in humans and animals.

  本发明涉及(a)由式I所表示的新化合物，其中M代表源自具有在炎症细胞中积累特性的大环内酯亚基（大环内酯基团），D代表具有抗炎、镇痛和/或退热活性的二苯并[e，h]蓝亚基，L代表共价连接M和D的连接基；(b)它们的药理学可接受的盐、前药和溶剂化物，(c)制备它们的过程和中间体，以及(d)它们在治疗人类和动物的炎症性疾病和病况中的应用。
• 20,23-PIPERIDINYL-5-O-MYCAMINOSYL-TYLONOLIDE POLYMORPHS
  申请人：Intervet International B.V.

  公开号：EP3170833A1

  公开（公告）日：2017-05-24

  This invention relates to solvated and non-solvated crystalline forms of 20,23-dipiperidinyl-5-O-mycaminosyl-tylonolide, as well as methods for making such crystalline forms, medicaments comprising (or derived from) such crystalline forms, methods for making medicaments comprising (or derived from) such crystalline forms, methods of treatment using such crystalline forms, and kits comprising such crystalline forms.

  本发明涉及 20,23-二哌啶基-5-O-mycaminosyl-tylonolide 的溶解和非溶解结晶形式，以及制造这种结晶形式的方法、包含（或衍生自）这种结晶形式的药物、制造包含（或衍生自）这种结晶形式的药物的方法、使用这种结晶形式的治疗方法和包含这种结晶形式的试剂盒。
• MACROLIDE SOLID-STATE FORMS
  申请人：Intervet International B.V.

  公开号：EP2181117B1

  公开（公告）日：2016-11-09
• Macrolide Compounds Containing Biotin and Photo-Affinity Group for Macrolide Target Identification
  申请人：Culic Ognjen

  公开号：US20080241959A1

  公开（公告）日：2008-10-02

  The present invention relates to new macrolide compounds represented by the general structure I, wherein M is a macrolide, P is a photo-affinity group bearing subunit containing biotin, and L is a linking molecule, and to their pharmaceutically acceptable salts and solvates, to processes and intermediates for their preparation and to the use of these compounds for the macrolide target identification.
• MACROLIDE SYNTHESIS PROCESS AND SOLID-STATE FORMS
  申请人：Blatter Fritz

  公开号：US20120208779A1

  公开（公告）日：2012-08-16

  Described are methods for making macrolides, and, in particular, a method for making optionally substituted 20,23-dipiperidinyl-5-O-mycaminosyl-tylonolide and derivatives thereof, as well as uses of macrolides to make medicaments, methods of treatment using macrolides, and methods for making intermediates that, inter alia, may be used to make macrolides. Also described are solvated and non-solvated crystalline forms of 20,23-dipiperidinyl-5-O-mycaminosyl-tylonolide, as well as methods for making such crystalline forms, medicaments comprising (or derived from) such crystalline forms, methods for making medicaments comprising (or derived from) such crystalline forms, methods of treatment using such crystalline forms, and kits comprising such crystalline forms.