2'-(bromoacetyl)-paclitaxel | 661476-27-3

• 英文名称: 2'-(bromoacetyl)-paclitaxel
• 英文别名: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-(2-bromoacetyl)oxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
• CAS: 661476-27-3
• 化学式: C₄₉H₅₂BrNO₁₅
• 分子量: 974.854
• InChiKey: XBFUHABUCRBCGR-DDQCEMGUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  66
• 可旋转键数：
  17
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  227
• 氢给体数：
  3
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  potassium selenocyanate 、 2'-(bromoacetyl)-paclitaxel 以 乙腈 为溶剂， 反应 16.0h， 以54%的产率得到
  参考文献：
  名称：

  一种硒氰化合物及其用途

  摘要：

  本发明提供了一种硒氰化合物及其用于预防或治疗癌症的用途，所述硒氰化合物具有式I结构。本发明还提供了所述式I化合物的制备方法及其包含所述式I化合物的药物组合物。

  公开号：

  CN110003142A
• 作为产物：
  描述：

  紫杉醇 、 溴乙酰溴 在 potassium hydrogencarbonate 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 1.0h， 以71%的产率得到2'-(bromoacetyl)-paclitaxel
  参考文献：
  名称：

  三氟甲基硒化合物及其用途

  摘要：

  本发明提供了一种三氟甲基硒化合物及其用于预防或治疗癌症的用途，所述三氟甲基硒化合物具有式I结构。本发明还提供了所述式I化合物的制备方法及其包含所述式I化合物的药物组合物。

  公开号：

  CN110862410A

文献信息

• CONJUGATES COMPRISING HYDROXYALKYL STARCH AND A CYTOTOXIC AGENT AND PROCESS FOR THEIR PREPARATION
  申请人：Fresenius Kabi Deutschland GmbH

  公开号：US20150297738A1

  公开（公告）日：2015-10-22

  The present invention relates to a hydroxyalkyl starch conjugate and a method for preparing the same, said hydroxyalkyl starch conjugate comprising a hydroxyalkyl starch derivative and a cytotoxic agent, the cytotoxic agent comprising at least one secondary hydroxyl group, wherein the hydroxyalkyl starch is linked via said secondary hydroxyl group to the cytotoxic agent. The conjugate according to the present invention has a structure according to the following formula HAS′(-L-M) n wherein M is a residue of the cytotoxic agent, L is a linking moiety, HAS′ is the residue of the hydroxyalkyl starch derivative, and n is greater than or equal to 1, and wherein the hydroxyalkyl starch derivative has a mean molecular weight (MW) above the renal threshold.

  本发明涉及一种羟烷基淀粉共轭物及其制备方法，所述羟烷基淀粉共轭物包括羟烷基淀粉衍生物和细胞毒性药剂，所述细胞毒性药剂包括至少一个次级羟基，其中羟烷基淀粉通过所述次级羟基与细胞毒性药剂连接。根据本发明的共轭物具有以下公式HAS'(-L-M)n的结构，其中M是细胞毒性药剂的残基，L是连接基团，HAS'是羟烷基淀粉衍生物的残基，n大于或等于1，且羟烷基淀粉衍生物的平均分子量（MW）高于肾脏阈值。
• Hydrolytically releasable prodrugs for sustained release nanoparticle formulations
  申请人：Alferiev Ivan

  公开号：US09233163B2

  公开（公告）日：2016-01-12

  A prodrug according to formula (I) wherein R2 is a residue of a drug, said drug having a hydroxyl group by which the COOR2 group is formed; Z is O or NH; m is 0 or 1; and R3 is an organic moiety comprising a lipophilic group or a residue of a polymer, provided that Z is 0 if the polymer is carboxymethyl dextran. A system includes a plurality of magnetic nanoparticles including a prodrug as described above, a stent and a source of uniform magnetic field capable of producing temporary magnetization of the stent and/or the magnetic nanoparticles. A method of treating a medical condition with a drug includes administering to a patient in need of the drug a prodrug as described above, the prodrug being capable of releasing the drug in the patient after the administration step.

  根据公式（I）的专利药物前体，其中R2是药物的残基，所述药物具有通过COOR2基团形成的羟基；Z为O或NH；m为0或1；R3是包含疏水基团或聚合物残基的有机基团，前提是如果聚合物是羧甲基葡聚糖，则Z为0。该系统包括多个磁性纳米颗粒，其中包括上述描述的药物前体，支架和能够产生支架和/或磁性纳米颗粒临时磁化的均匀磁场源。用药物治疗医疗状况的方法包括向需要该药物的患者注射上述描述的药物前体，该药物前体在给药步骤后能够在患者体内释放药物。
• Selective CXCR4 binding peptide conjugate and methods for making and using the same
  申请人：Mainline Biosciences LLC

  公开号：US11123437B2

  公开（公告）日：2021-09-21

  The present invention provides a selective CXCR4 binding peptide conjugate (“PC”), and a method for using and producing the same. In particular, the selective CXCR4 binding peptide conjugate of the invention comprises a peptide portion that selectively binds to CXCR4 and a medically useful compound, such as an imaging agent, a diagnostic agent, or a therapeutically or pharmaceutically active compound. In one particular embodiment, the selective CXCR4 binding peptide conjugate (“PC”) is of the formula: or a pharmaceutically acceptable salt thereof, wherein a, b, AA1, AA2, Ar1, X1, and AA3 are those defined herein. The peptide conjugate of the invention can be used in a variety of medical applications including, but not limited to, a targeted drug delivery or imaging a patient or diagnosing a patient for a disease or a clinical condition associated with overexpression and/or upregulation of CXCR4, such as cancers, HIV infection, and immune disorders. Compositions, kits and methods are also disclosed herein for such uses.

  本发明提供了一种选择性 CXCR4 结合肽共轭物（"PC"），以及使用和生产 PC 的方法。特别是，本发明的选择性 CXCR4 结合肽共轭物包括选择性结合 CXCR4 的肽部分和医学上有用的化合物，如成像剂、诊断剂或治疗或制药活性化合物。在一个特定的实施方案中，选择性 CXCR4 结合肽共轭物（"PC"）的结构式如下： 或其药学上可接受的盐，其中 a、b、AA1、AA2、Ar1、X1 和 AA3 为本文所定义者。本发明的多肽共轭物可用于多种医疗应用，包括但不限于靶向给药或为患者成像或诊断与 CXCR4 过表达和/或上调相关的疾病或临床症状，如癌症、HIV 感染和免疫紊乱。本文还公开了用于此类用途的组合物、试剂盒和方法。
• Design, synthesis, and anticancer activity of phosphonic acid diphosphate derivative of adenine-containing butenolide and its water-soluble derivatives of paclitaxel with high antitumor activity
  作者：Ali A Moosavi-Movahedi、Shahram Hakimelahi、Jamshid Chamani、Ghadam Ali Khodarahmi、Farshid Hassanzadeh、Fen-Tair Luo、Tai Wei Ly、Kak-Shan Shia、Chi-Feng Yen、Moti L Jain、Ramasamy Kulatheeswaran、Cuihua Xue、Manijeh Pasdar、Gholam Hossein Hakimelahi

  DOI：10.1016/s0968-0896(03)00524-8

  日期：2003.10

  Synthesis of adenine derivative of triphosphono-gamma-(Z)-ethylidene-2,3-dimethoxybutenolide 4 was accomplished by treatment of phosphonate 3 with 5-phosphoribosyl I-pyrophosphate in the presence of 5-phosphoribosyl I-pyrophosphate synthetase. It was found that triphosphonate 4 functions as an irreversible stoichiometric inactivator of the Escherichia coli ribonucleoside diphosphate reductase (RDPR). Triphosphonate 4 exhibited potent inhibitory activity against murine leukemias (L1210 and P388), breast carcinoma (MCF7), and human T-lymphoblasts (Molt4/C8 and CEM/0) cell lines. Paclitaxel ester derivatives of adenine-containing triphosphono-gamma-(Z)-ethylidene-2,3-dimethoxybutenolide 8-10 were also synthesized. Like triphosphonate 4, compound 8 exhibited inhibitory property toward RDPR. It also induced microtubule assembly similar to paclitaxel (5). The structure of the chlorodiester linker in 8 was found to account for this dual property. After treatment of MCF7 cells with compounds 4, 5, and 8, fluorescence microscope examination demonstrated the presence of nucleus shrinkage or segmentation. Bifunctional prodrug 8 exhibited higher lipophilicity than 4 and higher water-solubility than 5. Pro-dual-drug 8 exhibited more pronounced anticancer activity relative to that of the triphosphonate 4 and paclitaxel (5). In contrast, compound 9, resulting from the linkage of triphosphonate 4 and paclitaxel (5) through a diester unit, was only found to function as a highly water-soluble prodrug for paclitaxel (5). It induced microtubule assembly in vitro, but did not show inhibitory property toward RDPR. On the other hand, compound 10, an aggregate of triphosphonate 4 and paclitaxel (5), neither functioned as an inhibitor of RDPR nor exhibited microtubule assembly stimulating activity in vitro. (C) 2003 Elsevier Ltd. All rights reserved.
• COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS
  申请人：Kowalczyk-Prezewloka Teresa

  公开号：US20110294814A1

  公开（公告）日：2011-12-01

  Disclosed are compounds of Formula (I) and methods of using compounds of the invention for treating a subject with a proliferative disorder, such as cancer, and methods for treating disorders responsive to Hsp70 induction and/or natural killer induction. Also, disclosed are pharmaceutical compositions comprising compounds of the invention and a pharmaceutically acceptable carrier.