7-O-carbamoylpre-macbecin | 943238-20-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 7-O-carbamoylpre-macbecin
• 英文别名: (4e,8s,9r,10e,12s,13r,14s,16r)-13,20-Dihydroxy-14-Methoxy-4,8,10,12,16-Pentamethyl-3-Oxo-2-Azabicyclo[16.3.1]docosa-1(22),4,10,18,20-Pentaen-9-Yl Carbamate；[(4E,8S,9R,10E,12S,13R,14S,16R)-13,20-dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18(22),19-pentaen-9-yl] carbamate
• CAS: 943238-20-8
• 化学式: C₂₈H₄₂N₂O₆
• 分子量: 502.651
• InChiKey: RMHMHRXSAMJROO-HZZPTFRUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  36
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  131
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  7-O-carbamoylpre-macbecin 在 2,6-二甲基吡啶 、 盐酸 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 18-O-(N,N'-diethylethylenediaminecarbamoyl)-4,5-dihydro-11-O-demethyl-15-demethoxy-18,21-didehydro-18-hydroxy-21-deoxomacbecin
  参考文献：
  名称：

  WO2008/104812

  摘要：

  公开号：
• 作为产物：
  描述：

  18-O-(4-nitrophenylcarbonate)-4,5-dihydro-11-O-demethyl-15-demethoxy-18,21-didehydro-21-deoxomacbecin 在 盐酸 、 a-无水葡萄糖酯 、 水 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 1.34h， 生成 7-O-carbamoylpre-macbecin
  参考文献：
  名称：

  WO2008/104812

  摘要：

  公开号：

文献信息

• 21-DEOXYMACBECIN ANALOGUES USEFUL AS ANTITUMOR AGENTS
  申请人：Martin Christine Janet

  公开号：US20090209494A1

  公开（公告）日：2009-08-20

  The present invention relates to 21-deoxymacbecin analogues that are useful, e.g. in the treatment of cancer, B-cell malignancies, malaria, fungal infection, diseases of the central nervous system and neurodegenerative diseases, diseases dependent on angiogenesis, autoimmune diseases or as a prophylactic pretreatment for cancer. The present invention also provides methods for the production of these compounds and their use in medicine, in particular in the treatment and or prophylaxis of cancer or B-cell malignancies.
• C21-Deoxy Ansamycin Derivatives as Antitumor Agents
  申请人：Moss Steven

  公开号：US20100210597A1

  公开（公告）日：2010-08-19

  According to the invention there are provided derivatives of a C21-deoxy ansamycin or salt thereof which contain a 1-hydroxyphenyl moiety bearing at position 3 an aminocarboxy substituent, in which position 5 and the aminocarboxy substituent at position 3 are connected by an aliphatic chain of varying length characterised in that the 1-hydroxy position of the phenyl ring is derivatised by an aminoalkyleneaminocarbonyl group, which alkylene group (which may optionally be substituted by alkyl groups) has a chain length of 2 or 3 carbon atoms, a phosphoric acid, or a phosphoric acid ester (such as an alkyl ester) group, or a salt thereof, and which derivatising group increases the water solubility and/or the bioavailability of the parent molecule. Such compounds are useful in therapy eg in the treatment of cancer and B-cell malignancies.
• [EN] 21-DEOXYMACBECIN ANALOGUES USEFUL AS ANTITUMOR AGENTS<br/>[FR] NOVEAUX COMPOSES
  申请人：BIOTICA TECH LTD

  公开号：WO2007074347A1

  公开（公告）日：2007-07-05

  [EN] The present invention relates to 21-deoxymacbecin analogues that are useful, e.g. in the treatment of cancer, B-cell malignancies, malaria, fungal infection, diseases of the central nervous system and neurodegenerative diseases, diseases dependent on angiogenesis, autoimmune diseases or as a prophylactic pretreatment for cancer. The present invention also provides methods for the production of these compounds and their use in medicine, in particular in the treatment and / or prophylaxis of cancer or B-cell malignancies.
  [FR] La présente invention concerne des analogues de la 21-deoxymacbécine qui sont notamment utiles dans le traitement du cancer, des affections malignes touchant les lymphocytes B, de la malaria, des infections fongiques, des maladies du système nerveux central et des maladies neurodégénératives, des maladies liées à l'angiogenèse, des maladies auto-immunes ou en tant que traitement prophylactique du cancer. La présente invention concerne également des procédés permettant la production de ces composés ainsi que leur utilisation en médecine, en particulier dans le traitement et/ou la prophylaxie du cancer ou des affections malignes touchant les lymphocytes B.
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：BIOTICA TECH LTD

  公开号：WO2007128829A2

  公开（公告）日：2007-11-15

  [EN] The present invention relates to 18,21 -didesoxymacbecin analogues that are useful, e.g. in the treatment of cancer, B-cell malignancies, malaria, fungal infection, diseases of the central nervous system and neurodegenerative diseases, diseases dependent on angiogenesis, autoimmune diseases and/or as a prophylactic pre-treatment for cancer. The present invention also provides methods for the production of these compounds and their use in medicine, in particular in the treatment and / or prophylaxis of cancer or B-cell malignancies.
  [FR] L'invention concerne des analogues de 18,21-didesoxymacbécine que l'on utilise, par exemple, dans le traitement du cancer, de malignités touchant les lymphocytes B, le paludisme, d'infection fongique, de maladies du système nerveux central et neurodégénératives, de maladies dépendant de l'angiogenèse, de maladies auto-immunes et/ou comme prétraitement prophylactique du cancer. L'invention concerne également des procédés de production de ces composés et leur utilisation en médecine, notamment pour le traitement et/ou la prophylaxie du cancer ou de malignités touchant des lymphocytes B.
• [EN] 18, 21-DIDESOXYMACBECIN DERIVATIVES FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE 18,21-DIDÉSOXYMACBÉCINE POUR LE TRAITEMENT DU CANCER
  申请人：BIOTICA TECH LTD

  公开号：WO2008056189A1

  公开（公告）日：2008-05-15

  [EN] The present invention relates to macbecin analogues that are useful, e.g. in the treatment of cancer, B-cell malignancies, malaria, fungal infection, diseases of the central nervous system and neurodegenerative diseases, diseases dependent on angiogenesis, autoimmune diseases and/or as a prophylactic pre-treatment for cancer. The present invention also provides methods for the production of these compounds involving incorporation of non-natural starter units and their use in medicine, in particular in the treatment and / or prophylaxis of cancer or B-cell malignancies.
  [FR] La présente invention concerne des analogues de macbécine trouvant une utilité, par exemple, dans le traitement du cancer, de tumeurs malignes des lymphocytes B, de la malaria, d'une infection fongique, de maladies du système nerveux central et de maladies neurodégénératives, de maladies dépendant de l'angiogenèse ou de maladies auto-immunes, et/ou comme traitement préventif du cancer. La présente invention concerne également des procédés de production de ces composés, par incorporation d'unités de départ non naturelles, ainsi que l'utilisation desdits composés en médecine, notamment dans le traitement et/ou la prévention du cancer ou de tumeurs malignes des lymphocytes B.