庚酸氯甲酯 | 76068-79-6

• 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: 庚酸氯甲酯
• 中文别名: 正庚酸氯甲酯
• 英文名称: chloromethyl heptanoate
• 英文别名: chloromethyl n-heptanoate
• CAS: 76068-79-6
• 化学式: C₈H₁₅ClO₂
• 分子量: 178.659
• InChiKey: JUBQFNSRJOLWED-UHFFFAOYSA-N

物化性质

• 沸点：
  200.6±13.0 °C(Predicted)
• 密度：
  1.018±0.06 g/cm3(Predicted)
• 保留指数：
  1164;1181;1195;1197

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  11
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  庚酸氯甲酯 在 sodium iodide 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 90.0h， 生成 iodomethyl heptanoate
  参考文献：
  名称：

  Creation of a long-acting rilpivirine prodrug nanoformulation

  摘要：

  Antiretroviral therapy requires lifelong daily dosing to attain viral suppression, restore immune function, and improve quality of life. As a treatment alternative, long-acting (LA) antiretrovirals can sustain therapeutic drug concentrations in blood for prolonged time periods. The success of recent clinical trials for LA parenteral cabotegravir and rilpivirine highlight the emergence of these new therapeutic options. Further optimization can improve dosing frequency, lower injection volumes, and facilitate drug-tissue distributions. To this end, we report the synthesis of a library of RPV prodrugs designed to sustain drug plasma concentrations and improved tissue biodistribution. The lead prodrug M3RPV was nanoformulated into the stable LA injectable NM3RPV. NM3RPV treatment led to RPV plasma concentrations above the protein-adjusted 90% inhibitory concentration for 25 weeks with substantial tissue depots after a single intramuscular injection in BALB/cJ mice. NM3RPV elicited 13- and 26-fold increases in the RPV apparent half-life and mean residence time compared to native drug formulation. Taken together, proof-of-concept is provided that nanoformulated RPV prodrugs can extend the apparent drug half-life and improve tissue biodistribution. These results warrant further development for human use.

  DOI：

  10.1016/j.jconrel.2019.09.001
• 作为产物：
  描述：

  sodium heptanoate 以 二氯甲烷 为溶剂， 生成 庚酸氯甲酯
  参考文献：
  名称：

  Anti-inflammatory 2-methyl-2H-1,2-benzo-(or

  摘要：

  氧喹酮类药物的某些烯醚衍生物（N-杂环烷基-4-羟基-2-甲基-2H-1,2-苯并噻嗪-3-羧酰胺和N-杂环烷基-4-羟基-2-甲基-2H-噻吩[2,3-e]-1,2-噻嗪-3-羧酰胺的1,1-二氧化物）可作为这些抗炎化合物的前药。

  公开号：

  US04551452A1

文献信息

• [EN] PRODRUGS OF CGRP ANTAGONISTS<br/>[FR] PROMÉDICAMENTS D'ANTAGONISTES DU CGRP
  申请人：BIOHAVEN PHARM HOLDING CO LTD

  公开号：WO2020077038A1

  公开（公告）日：2020-04-16

  Disclosed are prodrugs of CGRP antagonists, methods of treating CGRP related disorders, e.g., migraine, by administering to a patient in need thereof the prodrugs, pharmaceutical compositions comprising prodrugs and kits including the pharmaceutical compositions and instructions for use.

  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。
• [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(CH3)2。
• Live Cell Labeling with Terpyridine Derivative Proligands to Measure Cytotoxicity Mediated by Immune Cells
  作者：Yuki Sakai、Satoshi Mizuta、Asuka Kumagai、Mohammed S. O. Tagod、Hiroaki Senju、Tatsufumi Nakamura、Craig T. Morita、Yoshimasa Tanaka

  DOI：10.1002/cmdc.201700626

  日期：2017.12.7

  Immunotherapy using immune checkpoint inhibitors and CAR‐T cells has revolutionized treatment for patients with malignant tumors. However, measuring tumor cell cytotoxicity mediated by immune effector cells in clinical laboratories has been difficult due to the requirement for radioactive substances. In this study, a series of novel terpyridine derivative proligands were synthesized, and a non‐radioactive

  使用免疫检查点抑制剂和CAR‐T细胞的免疫疗法彻底改变了恶性肿瘤患者的治疗方法。然而，由于对放射性物质的需求，在临床实验室中测量由免疫效应细胞介导的肿瘤细胞的细胞毒性已经很困难。在这项研究中，合成了一系列新型的吡啶吡啶衍生物配体，并开发了使用新合成的化合物的非放射性细胞毒性试验，用于癌症免疫疗法的临床前和临床研究。一旦内化到靶细胞中，这些化合物就被酯酶水解，导致带负电荷的三联吡啶衍生物在细胞内积累。当标记的靶细胞被免疫效应细胞识别并杀死后，细胞膜的完整性被破坏，并且三联吡啶衍生物被释放。将培养上清液与euro（Eu3+），可以通过测量Eu 3+ /配体衍生的时间分辨荧光的强度来定量确定免疫效应细胞对靶细胞的细胞毒性。因此，在这项研究中开发的测定将促进新型癌症免疫疗法的发展。
• Uridine derivative and process for preparing the same
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：EP0588317A1

  公开（公告）日：1994-03-23

  A novel uridine derivative of the formula (I): wherein R¹ is acyloxy, R² is hydrogen, acyloxy, etc., R³ is aralkyloxy, acyloxy, etc., R⁴ is hydrogen, acyloxy, etc., R is hydrogen or a lower alkyl, and Y is fluorine or trifluoromethyl, and a process for preparing the same are provided. The uridine derivative (I) of the present invention exhibits an excellent anti-tumor activity in vivo.

  本发明提供了一种具有以下结构的新型尿苷衍生物（I）：其中R¹为酰氧基，R²为氢、酰氧基等，R³为芳基氧基、酰氧基等，R⁴为氢、酰氧基等，R为氢或较低的烷基，Y为氟或三氟甲基，以及制备该化合物的方法。本发明的尿苷衍生物（I）在体内展现出优异的抗肿瘤活性。
• SUBSTITUTED IMIDAZOLES
  申请人：CHUBB NATHAN ANTHONY LOGAN

  公开号：US20070167506A1

  公开（公告）日：2007-07-19

  This invention relates to a range of alpha substituted 2-benzyl substituted imidazole compounds and pharmaceutically acceptable salts and solvates thereof, to compositions comprising such compounds, processes for their synthesis and their use as parasiticides.

  本发明涉及一系列α取代的2-苄基取代咪唑化合物及其药用可接受盐和溶剂化合物，包括这些化合物的组合物、合成过程以及它们作为驱虫剂的用途。

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