[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-2-[butyl-[2-(pyridin-2-yldisulfanyl)ethyl]carbamoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate | 1616835-66-5

• 英文名称: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-2-[butyl-[2-(pyridin-2-yldisulfanyl)ethyl]carbamoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
• CAS: 1616835-66-5
• 化学式: C₅₇H₇₃N₃O₁₅S₂
• 分子量: 1104.35
• InChiKey: RFUQWQXJIRXROP-VTHQQHNDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  77
• 可旋转键数：
  25
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  275
• 氢给体数：
  2
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-2-[butyl-[2-(pyridin-2-yldisulfanyl)ethyl]carbamoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate 、 Lys-Boc octreotide 3-tritylmercaptopropionate 在 三异丙基硅烷 、 三氟乙酸 作用下， 以 四氢呋喃 、 aq. phosphate buffer 为溶剂， 反应 2.08h， 以69%的产率得到[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-2-[2-[[3-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]disulfanyl]ethyl-butylcarbamoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  参考文献：
  名称：

  [EN] TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF
  [FR] CONJUGUÉS CIBLÉS, PARTICULES ET PRÉPARATIONS ASSOCIÉES

  摘要：

  包括纳米颗粒和微粒子在内的粒子以及其制剂，包括将活性药剂（如治疗、预防或诊断药剂）与靶向基团通过连接剂结合的共轭物。这些设计可以提供改善活性药剂的时间空间传递和/或改善生物分布的效果。提供了制备共轭物、粒子和制剂的方法。提供了向需要的受试者（例如治疗或预防癌症或传染病）施用制剂的方法。

  公开号：

  WO2016004043A1
• 作为产物：
  描述：

  卡巴他赛 在 吡啶 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 生成 [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-2-[butyl-[2-(pyridin-2-yldisulfanyl)ethyl]carbamoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  参考文献：
  名称：

  Targeted Conjugates Encapsulated in Particles and Formulations Thereof

  摘要：

  包括纳米颗粒和微粒在内的微粒子以及其药物配方，其中含有活性剂的共轭物，例如治疗、预防或诊断剂，通过连接体连接到靶向基团，已经设计出来，可以提供改善活性剂的时间空间传递和/或改善生物分布的效果。提供了制备共轭物、微粒子和其配方的方法。提供了将这些配方用于需要的受试者的方法，例如用于治疗或预防癌症或传染病。

  公开号：

  US20140187501A1

文献信息

• Targeted conjugates and particles and formulations thereof
  申请人：TARVEDA THERAPEUTICS, INC.

  公开号：US10624967B2

  公开（公告）日：2020-04-21

  Nanoparticles and microparticles, and pharmaceutical formulations thereof, containing conjugates of an active agent such as a therapeutic, prophylactic, or diagnostic agent attached to a targeting moiety, such as a somatostatin receptor binding moiety, via a linker have been designed. Such nanoparticles and microparticles can provide improved temporospatial delivery of the active agent and/or improved biodistribution. Methods of making the conjugates, the particles, and the formulations thereof are provided. Methods of administering the formulations to a subject in need thereof are provided, for example, to treat or prevent cancer or infectious diseases.

  现已设计出纳米颗粒和微颗粒及其药物制剂，其中含有通过连接体连接到靶向分子（如体生长抑素受体结合分子）的活性剂（如治疗剂、预防剂或诊断剂）的共轭物。这种纳米颗粒和微颗粒可改善活性剂的时间空间递送和/或生物分布。本文提供了共轭物、颗粒及其制剂的制造方法。还提供了向有需要的受试者施用制剂的方法，例如治疗或预防癌症或传染性疾病。
• TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF
  申请人：TARVEDA THERAPEUTICS, INC.

  公开号：US20170151339A1

  公开（公告）日：2017-06-01

  Particles, including nanoparticles and microparticles, and pharmaceutical formulations thereof, comprising conjugates of an active agent such as a therapeutic, prophylactic, or diagnostic agent attached to a targeting moiety via a linker have been designed which can provide improved temporospatial delivery of the active agent and/or improved biodistribution. Methods of making the conjugates, the particles, and the formulations thereof are provided. Methods of administering the formulations to a subject in need thereof are provided, for example, to treat or prevent cancer or infectious diseases.
• TARGETED CONJUGATES ENCAPSULATED IN PARTICLES AND FORMULATIONS THEREOF
  申请人：TARVEDA THERAPEUTICS, INC.

  公开号：US20180021454A1

  公开（公告）日：2018-01-25

  Particles, including nanoparticles and microparticles, and pharmaceutical formulations thereof, containing conjugates of an active agent such as a therapeutic, prophylactic, or diagnostic agent attached to a targeting moiety via a linker have been designed which can provide improved temporospatial delivery of the active agent and/or improved biodistribution. Methods of making the conjugates, the particles, and the formulations thereof are provided. Methods of administering the formulations to a subject in need thereof are provided, for example, to treat or prevent cancer or infectious diseases.