3-[[(10E,16E)-5,7,9,19,21,23,27,29,30,31-decahydroxy-8,12,18,22,26-pentamethyl-13-[(E)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl]oxy]-3-oxopropanoic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: 3-[[(10E,16E)-5,7,9,19,21,23,27,29,30,31-decahydroxy-8,12,18,22,26-pentamethyl-13-[(E)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl]oxy]-3-oxopropanoic acid
• 化学式: C₅₄H₉₅N₃O₁₇
• 分子量: 1058.3
• InChiKey: DTXXAWMAXGFPJR-ZHUNZMOSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  74
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  352
• 氢给体数：
  13
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  3-[[(10E,16E)-5,7,9,19,21,23,27,29,30,31-decahydroxy-8,12,18,22,26-pentamethyl-13-[(E)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl]oxy]-3-oxopropanoic acid 生成 2-methyl-1-[(E)-9-methyl-11-[(10E,16E)-3,5,7,9,19,21,23,27,29,30,31-undecahydroxy-8,12,18,22,26-pentamethyl-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-13-yl]dodec-4-enyl]guanidine
  参考文献：
  名称：

  FUKAI, TOSHIO;NOMURA, TARO;UNO, JUN;ARAI, TADASHI, HETEROCYCLES, 24,(1986) N 12, 3351-3358

  摘要：

  DOI：

文献信息

• 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。
• New antibiotic, neocopiamycin A and the production thereof
  申请人：Arai, Tadashi, Prof.

  公开号：EP0137692A2

  公开（公告）日：1985-04-17

  A new antibiotic, designated as neocopiamycin A, is useful as antifungal agent. Neocopiamycin A is fermentatively produced as a minor component, in addition to copiamycin, by a microorganism Streptomyces hygroscopicus var. crystallogenes (FERM BP-576) which is known to produce the known antibiotic copiamycin.

  一种新的抗生素被命名为新卡帕霉素 A，可用作抗真菌剂。新柯帕霉素 A 是由一种微生物 Streptomyces hygroscopicus var.crystallogenes（FERM BP-576）发酵产生的，它是已知可产生抗生素柯帕霉素的一种次要成分。
• Guanidylfungin derivatives and their production
  申请人：TAKARA SHUZO CO. LTD.

  公开号：EP0178909A2

  公开（公告）日：1986-04-23

  Antibiotic guanidylfungin derivatives represented by formula (I), and acid addition salts thereof: wherein X1 represents X2 represents X3 represents R, represents H or CH3; R2 and R3 are the same or different selected from H and alkyl and alkenyl groups of up to 6 carbon atoms; R4 is an alkyl or alkenyl group of up to 6 carbon atoms and R5 and R6 are one ether bond, or else R4 is H, Rs is H, and R6 is OH; and R7 represents H or an alkyl or alkenyl group of up to 6 carbon atoms.

  由式（I）代表的抗生素胍基真菌素衍生物及其酸加成盐：其中X1代表X2代表X3代表R，代表H或CH3；R2和R3相同或不同选自H和最多6个碳原子的烷基和烯基；R4是最多6个碳原子的烷基或烯基，R5和R6是一个醚键，否则R4是H，Rs是H，R6是OH；R7代表H或最多6个碳原子的烷基或烯基。
• Verfahren zur Herstellung der Desmalonylverbindung von Makrolid-Lactonen
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0272667A2

  公开（公告）日：1988-06-29

  Die Herstellung der Desmalonylverbindungen von Makrolid-­Lactonen ist durch Hydrolyse in Gegenwart einer Base möglich, ohne daß eine Retro-Aldol-Spaltung eintritt.

  大环内酯的去丙二酰基化合物可以在碱存在下通过水解制备，而不会发生逆醛醇裂解。