2-[(2S,3S,4R,5R,6S)-3,4,5-三羟基-6-[(1R,2R)-2-甲氧基-1-[[(2S)-1-甲基吡咯烷-2-羰基]氨基]丙基]四氢吡喃-2-基]巯基乙基2-羟基苯甲酸酯 | 2520-21-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-[(2S,3S,4R,5R,6S)-3,4,5-三羟基-6-[(1R,2R)-2-甲氧基-1-[[(2S)-1-甲基吡咯烷-2-羰基]氨基]丙基]四氢吡喃-2-基]巯基乙基2-羟基苯甲酸酯
• 英文名称: Celesticetin
• 英文别名: 2-[3,4,5-trihydroxy-6-[2-methoxy-1-[(1-methylpyrrolidine-2-carbonyl)amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate
• CAS: 2520-21-0
• 化学式: C₂₄H₃₆N₂O₉S
• 分子量: 528.6
• InChiKey: VMSQKUCYEMOKMM-UHFFFAOYSA-N

物化性质

• 比旋光度：
  D24 +126.6° (c = 0.5 in chloroform)
• 沸点：
  748.7±60.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  36
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  183
• 氢给体数：
  5
• 氢受体数：
  11

文献信息

• [EN] LINCOSAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS ANTIMICROBIAL AGENT<br/>[FR] DÉRIVÉS DE LINCOSAMIDE, LEUR PRÉPARATION ET LEUR UTILISATION EN TANT QU'AGENT ANTIMICROBIEN
  申请人：MIKROBIOLOGICKY USTAV AV CR V V I

  公开号：WO2018161979A1

  公开（公告）日：2018-09-13

  The present invention provides lincosamides of general formula I, (I) wherein R1 is selected from C2-C8 alkyl or C2-C8 alkenyl; R3 is selected from OH, 0(C1-C4 alkyl), SH, S(C1-C4 alkyl) or halogen; R4 is H or C1-C3 alkyl; each of R21, R22, R23, R24, R25 is independently selected from the group consisting of H, OH, C1-C4 alkyl, C1-C4 alkenyl, C1-C4 alkynyl, halogen, 0(C1-C4 alkyl), 0(C1-C4 alkenyl), 0(C1-C4 alkynyl), NH2, N(C1-C4 alkyl)2, N(C1-C4 alkenyl)2, N(C1-C4 alkynyl)2; and pharmaceutically acceptable salts thereof. Further provided is a method of preparation thereof, in particular a biosynthetic method using newly discovered functions of celesticetin biosynthetic proteins Ccb1 and/or Ccb2. Lincosamides of general formula I are suitable for use as antibacterial and antiprotozoal substances.

  本发明提供了一般式I的林可霉素（lincosamides），其中R1从C2-C8烷基或C2-C8烯基中选择；R3从OH，0(C1-C4烷基)，SH，S(C1-C4烷基)或卤素中选择；R4为H或C1-C3烷基；R21、R22、R23、R24、R25中的每一个独立地从H、OH、C1-C4烷基、C1-C4烯基、C1-C4炔基、卤素、0(C1-C4烷基)、0(C1-C4烯基)、0(C1-C4炔基)、NH2、N(C1-C4烷基)2、N(C1-C4烯基)2、N(C1-C4炔基)2的群中选择；以及其药用盐。进一步提供了一种制备方法，特别是使用新发现的celesticetin生物合成蛋白Ccb1和/或Ccb2的功能的生物合成方法。一般式I的林可霉素适用于作为抗菌和抗原虫物质。
• Carriers, Formulations, Methods For Formulating Unstable Active Agents For External Application And Uses Thereof
  申请人：Foamix Ltd.

  公开号：US20130189191A1

  公开（公告）日：2013-07-25

  The present disclosure teaches unique formulations for topical administration of tetracycline antibiotics, in which the tetracycline antibiotics remain stable.

  本公开教授了一种独特的四环素类抗生素外用给药配方，其中四环素类抗生素保持稳定。
• CARRIERS, FORMULATIONS, METHODS FOR FORMULATING UNSTABLE ACTIVE AGENTS FOR EXTERNAL APPLICATION AND USES THEREOF
  申请人：Tamarkin Dov

  公开号：US20100310476A1

  公开（公告）日：2010-12-09

  The present disclosure teaches unique formulations for topical administration of tetracycline antibiotics, in which the tetracycline antibiotics remain stable.

  本公开教授了独特的四环素类抗生素局部给药配方，其中四环素类抗生素保持稳定。
• Novel derivatives of bio-affecting phenolic compounds and pharmaceutical composition containing them
  申请人：INTERx RESEARCH CORPORATION

  公开号：EP0046270A1

  公开（公告）日：1982-02-24

  Novel transient prodrug forms of bio-affecting phenolic compounds are selected from the group consisting of those having the structural formula (I): wherein X is O, S or NR5 wherein R5 is hydrogen or lower alkyl; R1 is the mono- or polydehydroxylated residue of a non-steroidal bio-affecting phenol, with the proviso that R' is other than a monohydroxylated or didehydroxylated residue of a phenolic, nuclear dihydroxy natural sympathetic or sympathomimetic amine; R2 is selected from the group consisting of straight or branched chain alkyl, aryl, cycloalkyl, alkenyl, cycloalkenyl, alkynyl, aralkyl, alkaryl, aralkenyl, aralkynyl, alkenylaryl, alkynylaryl, (lower acyloxy)alkyl, and carboxyalkyl; 3- to 8-membered, saturated or unsaturated mono-heterocyclic or polyheterocyclic containing from 1 to 3 of any one or more of the heteroatoms N, S or O; and mono- or polysubstituted derivatives of the above; R3 is hydrogen, lower acyl, cyano, halo(lower alkyl), carbamyl, lower alkylcarbamyl, di(lower alkyl)carbamyl, CH2ONO2, -CH2OCOR2 or any non-heterocyclic member of the group defined by R2 above; and n is at least one and equals the total number of phenolic hydroxyl functions comprising the non-steroidal bioaffecting phenol etherified via a R2COXCH(R3)0-moiety; those having the structural formula (II): wherein X, R', R2 and R3 are as defined above, and n and m are each at least one and the sum of n+m equals the total number of phenolic hydroxyl functions comprising the non-steroidal bioaffecting phenol either etherified via a R2COXCH(R3)0-moiety or esterified via a R2COO-moiety; and the pharmaceutically acceptable acid addition salts, quaternary ammonium salts and N-oxides thereof.

  生物效应酚类化合物的新型瞬效原药形式选自具有结构式(I)的化合物组成的组： 其中 X 是 O、S 或 NR5，其中 R5 是氢或低级烷基；R1 是非类固醇生物效应酚的单羟基或多羟基残基，但 R' 不是酚、核二羟基天然交感胺或拟交感胺的单羟基或双羟基残基；R2 选自直链或支链烷基、芳基、环烷基、烯基、环烯基、炔基、芳烷基、烷芳基、芳烯基、芳炔基、烯芳基、炔芳基、（低级酰氧基）烷基和羧基烷基组成的组；R3 是氢、低级酰基、氰基、卤代（低级烷基）、氨甲酰基、低级烷基氨甲酰 基、二（低级烷基）氨甲酰基、CH2ONO2、-CH2OCOR2 或上述 R2 定义的基团中的任何非杂环成员；且 n 至少为 1，等于通过 R2COXCH(R3)0 子代醚化的非甾体生物作用酚所包含的酚羟基官能团的总数；具有结构式（II）的酚羟基官能团： 其中 X、R'、R2 和 R3 如上文所定义，n 和 m 至少各为 1，且 n+m 之和等于非甾体类生物效应酚通过 R2COXCH(R3)0 子键醚化或通过 R2COO 子键酯化的酚羟基官能团的总数；及其药学上可接受的酸加成盐、季铵盐和 N-氧化物。
• Novel single stranded phasmid vectors and methods for transforming streptomyces and other actinomycetes
  申请人：ELI LILLY AND COMPANY

  公开号：EP0354727A2

  公开（公告）日：1990-02-14

  Novel vectors and methods for a single-­stranded DNA mediated gene transfer system via transformation, fusion or transduction of Streptomyces, other actinomycetes, and E. coli using a variety of vectors. Phasmid shuttle vectors of the invention are particularly useful as single-stranded vectors that appear to bypass one or more host cell restriction systems, and thus increase the efficiency of gene transfer into highly restrictive host cell systems. New and useful vectors are provided that allow for the cloning of genes both for increasing the yields of known antibiotics and also for producing new antibiotics, antibiotic derivatives, or any other useful gene product, including a variety of mammalian protein products.

  利用各种载体，通过转化、融合或转导链霉菌、其他放线菌和大肠杆菌，实现单链 DNA 介导的基因转移系统的新型载体和方法。本发明的噬菌体穿梭载体作为单链载体特别有用，它似乎可以绕过一个或多个宿主细胞限制系统，从而提高基因转移到高限制性宿主细胞系统的效率。本发明提供了新的有用的载体，可以克隆基因，既可以提高已知抗生素的产量，也可以生产新的抗生素、抗生素衍生物或任何其他有用的基因产品，包括各种哺乳动物蛋白质产品。