癸酸氯甲酯 | 67317-62-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 癸酸氯甲酯
• 英文名称: chloromethyl decanoate
• CAS: 67317-62-8
• 化学式: C₁₁H₂₁ClO₂
• 分子量: 220.74
• InChiKey: UXAJBSZQOZOHEI-UHFFFAOYSA-N

物化性质

• 沸点：
  260.1±13.0 °C(Predicted)
• 密度：
  0.981±0.06 g/cm3(Predicted)
• 保留指数：
  1470;1479;1481;1483

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  14
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  癸酸氯甲酯 以 乙腈 为溶剂， 反应 25.0h， 生成 1-decanoyloxymethyl-5-fluorouracil
  参考文献：
  名称：

  1-Alkylcarbonyloxymethyl Prodrugs of 5-Fluorouracil (5-FU): Synthesis, Physicochemical Properties, and Topical Delivery of 5-FU

  摘要：

  1-Alkylcarbonyloxymethyl (1-ACOM) prodrugs of 5-fluorouracil (5-FU) have been synthesized and characterized by their solubilities in isopropyl myristate (SIPM) and pH 4.0 buffer (SH2O), by their partition coefficients between isopropyl myristate (IPM) and pH 4.0 buffer (K) and by their abilities to deliver total 5-FU species into (Cs) and through (Ji) hairless mouse skin from an IPM vehicle. All of the prodrugs were much more lipophilic (SIPM) than 5-FU (> 60 times), and two members of the series (alkyl = C1 and C2, acetyl- and propionyloxymethyl) were also more soluble in water than 5-FU. The two more water-soluble members gave larger Ji values than the other members of the series, with C2 exhibiting the best biphasic solubility and the largest Ji value (16 times that of 5-FU). The ability of the 1-ACOM-5-FU prodrugs to deliver total 5-FU species into skin (Cs) was greater than the delivery of 5-FU by 5-FU, except for the last two members of series (alkyl = C7 and C9, octanoyl- and decanoyl-oxymethyl). However, the ratios of normalized Cs to Ji for the series was less than that exhibited by 5-FU, except for C7 and C9. Also, except for C9, significant amounts of intact prodrug as percentages of total 5-FU species were found in the receptor phases during the course of the diffusion cell experiments, ranging from 55% for C1 to 12% for C7.

  DOI：

  10.1021/js9702574
• 作为产物：
  描述：

  氯甲基氯磺酸酯 、 正癸酸 在 四丁基硫酸氢铵 、 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 18.42h， 以820 mg的产率得到癸酸氯甲酯
  参考文献：
  名称：

  [EN] PRODRUGS OF CGRP ANTAGONISTS
  [FR] PROMÉDICAMENTS D'ANTAGONISTES DU CGRP

  摘要：

  披露了CGRP拮抗剂的前药，治疗CGRP相关疾病的方法，例如偏头痛，通过向需要的患者给予前药，包含前药的药物组合物以及包括药物组合物和使用说明的工具包。

  公开号：

  WO2020077038A1

文献信息

• [EN] ORGANIC COMPOUNDS<br/>[FR] COMPOSÉS ORGANIQUES
  申请人：INTRA CELLULAR THERAPIES INC

  公开号：WO2014145192A1

  公开（公告）日：2014-09-18

  The invention relates to particular substituted heterocycle fused gamma-carbolines, their prodrugs, in free, pharmaceutically acceptable salt and/or substantially pure form as described herein, pharmaceutical compositions thereof, and methods of use in the treatment of diseases involving 5-HT2A receptor, serotonin transporter (SERT) and/or pathways involving dopamine D2 receptor signaling systems.

  该发明涉及特定的取代杂环融合的γ-咖啡碱，其前药，以自由的、药学上可接受的盐和/或基本纯净形式描述，以及其药物组合物，以及在治疗涉及5-HT2A受体、5-羟色胺转运体（SERT）和/或涉及多巴胺D2受体信号系统的疾病中的使用方法。
• Erufosine (ErPC3) Cationic Prodrugs as Dual Gene Delivery Reagents for Combined Antitumor Therapy
  作者：Boris Gaillard、Cendrine Seguin、Jean‐Serge Remy、Françoise Pons、Luc Lebeau

  DOI：10.1002/chem.201903976

  日期：2019.12.5

  Sixteen cationic prodrugs of the antitumor alkylphospholipid (APL) erufosine were rationally synthesized to provide original gene delivery reagents with improved cytotoxicity profile. The DNA complexation properties of these cationic lipids were determined and associated transfection rates were measured. Furthermore, the self-assembly properties of the pro-erufosine compounds were investigated and

  合理地合成了十六种抗肿瘤烷基磷脂（APL）肌苷的阳离子前药，以提供具有改善的细胞毒性特征的原始基因递送试剂。确定了这些阳离子脂质的DNA络合特性，并测量了相关的转染率。此外，研究了芥子油苷化合物的自组装性能，并确定了其临界聚集浓度。在模拟细胞外环境和晚期内体环境的pH条件下，测量了它们的水解稳定性。研究了这些化合物的溶血活性和细胞毒性。在各种细胞系中获得的结果表明，芥子碱的前药显示出与母体抗肿瘤药相似的抗肿瘤活性，但与溶血毒性无关，这是APL的剂量限制性副作用，是其在APL中使用的主要障碍抗癌治疗方案。此外，通过使用由芥酸前药和编码促凋亡蛋白（TRAIL）的质粒DNA制备的脂质复合物，提供了对肿瘤细胞的选择性细胞毒性而非肿瘤细胞具有抗性的证据。这项研究表明，包括良好耐受的芥酸阳离子前药和癌症基因治疗的组合方法在肿瘤治疗中具有重大前景。此外，通过使用由芥酸前药和编码促凋亡蛋白（TRAIL）的
• POMALIDOMIDE DERIVATIVE AND PREPARATION METHOD THEREFOR
  申请人：NANJING NORATECH PARMACEUTICALS CO., LTD

  公开号：US20200199097A1

  公开（公告）日：2020-06-25

  Disclosed in the present invention are a Pomalidomide derivative and a preparation method therefor. Specifically, the present invention relates to the Pomalidomide derivative and a stereoisomer thereof, or a pharmaceutically acceptable salt, and applications thereof in the preparation of drugs for treating cancers.

  本发明涉及一种硼替佐米衍生物及其制备方法。具体而言，本发明涉及硼替佐米衍生物及其立体异构体，或其药学上可接受的盐，以及在制备用于治疗癌症的药物中的应用。
• Unsaturated Cyclic Ureas as New Nontoxic Biodegradable Transdermal Penetration Enhancers I: Synthesis
  作者：Ooi Wong、J. Huntington、R. Konishi、J.H. Rytting、T. Higuchi

  DOI：10.1002/jps.2600771115

  日期：1988.11

  A new concept was implemented to reduce the toxicity of some new biodegradable transdermal penetration enhancers. These enhancers consist of 1-alkyl-4-imidazolin-2-one and a long-chain alkyl ester group at the N-3 position. The synthesis involves N-alkylation of the parent compound with soft alkylating agents which were prepared in high yields by an improved method. A phase transfer catalysis technique

  实施了新概念以减少某些新型可生物降解的透皮渗透促进剂的毒性。这些增强剂由1-烷基-4-咪唑啉-2-酮和在N-3位置的长链烷基酯基组成。该合成涉及用软烷基化剂对母体化合物进行N-烷基化，该软烷基化剂是通过改进的方法高产率制备的。发现在N-烷基化步骤中使用KOH作为碱，溴化四丁基铵作为催化剂，和甲苯作为溶剂的相转移催化技术是最有效的。
• [EN] COMPOUNDS WITH HIV MATURATION INHIBITORY ACTIVITY<br/>[FR] COMPOSÉS AYANT UNE ACTIVITÉ INHIBITRICE DE LA MATURATION DU VIH
  申请人：VIIV HEALTHCARE UK NO 5 LTD

  公开号：WO2019207460A1

  公开（公告）日：2019-10-31

  The present invention relates to compound of Formula I or a pharmaceutically acceptable salt thereof (Formula I) wherein R1 is Formula (AA) or Formula (BB) where the squiggly line indicates the point of attachment to the rest of the molecule; R2 is F or Formula (CC) where the squiggly line indicates the point of attachment to the rest of the molecule; R3 is H or CH3; Z is O or is absent; and R4 is -OC1-3alkyl, C1-30alkyl, or -N(CH3)2.

  本发明涉及化合物I的结构或其药学上可接受的盐（化合物I），其中R1为结构（AA）或结构（BB），其中波浪线表示与分子其余部分的连接点；R2为F或结构（CC），其中波浪线表示与分子其余部分的连接点；R3为H或CH3；Z为O或不存在；R4为-OC1-3烷基，C1-30烷基，或-N( )2。

表征谱图