((2-methylpropanoyl)oxy)methyl pentanoate | 55696-45-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ((2-methylpropanoyl)oxy)methyl pentanoate
• 英文别名: bis-isobutyryloxy-methane；Bis-isobutyryloxy-methan；methylene diisobutyrate；methylene bisisobutyrate；2-methylpropanoyloxymethyl 2-methylpropanoate
• CAS: 55696-45-2
• 化学式: C₉H₁₆O₄
• 分子量: 188.224
• InChiKey: SIYFBIVPSCJWAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  氯甲基异酪酸盐 、 异丁酸 在 三乙胺 作用下， 以 丙酮 为溶剂， 反应 24.0h， 生成 ((2-methylpropanoyl)oxy)methyl pentanoate
  参考文献：
  名称：

  Novel anticancer prodrugs of butyric acid. 2

  摘要：

  The antitumor activity of novel prodrugs butyric acid was examined. The in vitro effect of the compounds on induction of cytodifferentiation and on inhibition of proliferation and clonogenicity showed that (pivaloyloxy)methyl butyrate (1a) (labeled AN-9) was the most active agent. SAR's suggested that its activity stemmed from hydrolytically released butyric acid. In vivo, 1a displayed antitumor activity in B16F0 melanoma primary cancer model, manifested by a significant increase in the life span of the treated animals. Murine lung tumor burden, induced by injection of the highly metastatic melanoma cells (B16F10.9), was decreased by 1a. It also displayed a significant therapeutic activity against spontaneous metastases which were induced by 3LL Lewis lung carcinoma cells. Moreover, 1a has the advantage of low toxicity, with an acute LD50 = 1.36 +/- 0.1 g/kg (n = 5). These results suggest that 1a is a potential antineoplastic agent.

  DOI：

  10.1021/jm00082a009

文献信息

• [EN] BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF<br/>[FR] DÉRIVÉS D'ACIDE BORONIQUE ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：QPEX BIOPHARMA INC

  公开号：WO2021188700A1

  公开（公告）日：2021-09-23

  Disclosed herein are antimicrobial compounds, polymorphic forms, compositions, pharmaceutical compositions, the method of use and preparation thereof. Some embodiments relate to boronic acid derivatives and their use as therapeutic agents, for example, β-lactamase inhibitors (BLIs). The boronic acid derivatives disclosed herein can be used in combination with various antibiotics to treat resistant bacteria.

  本文公开了抗微生物化合物、多形态、组合物、制药组合物、使用方法及其制备方法。某些实施例涉及硼酸衍生物及其作为治疗剂的使用，例如β-内酰胺酶抑制剂（BLIs）。本文所披露的硼酸衍生物可以与各种抗生素结合使用，以治疗耐药细菌。
• Fungus and bacteria control with di-carboxylic acid esters
  申请人：Chevron Research Company

  公开号：US03931412A1

  公开（公告）日：1976-01-06

  Fungal and bacterial growth are inhibited by the use of di-carboxylic acid esters and compositions thereof. In a preferred embodiment, crops and animal feedstuffs are preserved during storage against fungal attack by applying a fungicidal amount of a mono-, di- or trioxymethylene, or lower alkylidene bis-alkanoate, or a mixture thereof. In another preferred embodiment, apple scab is controlled by applying to apple trees a fungicidal amount of a mono-, di- or trioxymethylene bis-alkanoate.

  使用二羧酸酯及其组合物可以抑制真菌和细菌的生长。在一种首选实施方式中，通过施加单-, 二- 或三氧甲基或较低烷基亚甲基双酯或其混合物的杀真菌量，可以在贮存期间保护作物和动物饲料免受真菌攻击。在另一种首选实施方式中，通过施加单-, 二- 或三氧甲基双酯或其混合物的杀真菌量，可以控制苹果树黑星病。
• Oxymethylene di-carboxylic acid esters as anti-fungal agents and animal
  申请人：Chevron Research Company

  公开号：US04012526A1

  公开（公告）日：1977-03-15

  Fungal growth in animal feedstuffs is inhibited by the use of di-carboxylic acid esters and compositions thereof. In addition to inhibiting the growth of fungi, the di-carboxylic acid esters increase the nutritional value of the animal feedstuff treated, and promote greater weight gain and feed efficiency response in animals fed the treated feedstuff compositions.

  动物饲料中的真菌生长会受到双羧酸酯及其组合物的抑制。除了抑制真菌生长外，双羧酸酯还可以提高经处理的动物饲料的营养价值，并促进食用处理后饲料组合物的动物体重增加和饲料效率反应。
• Bicyclic Pyrrole Derivatives
  申请人：Nakahira Hiroyuki

  公开号：US20080318922A1

  公开（公告）日：2008-12-25

  Compounds represented by the general formula (I), prodrugs thereof, or pharmaceutically acceptable salts of both are provided as compounds which have high DPP-IV inhibiting activity and are improved in safety, toxicity and so on: (I) wherein the solid line and dotted line between A 1 and A 2 represents a double bond (A 1 =A 2 ) or the like; A 1 is C(R 4 ) or the like; A 2 is nitrogen atom or the like; R 1 is hydrogen atom, optionally substituted alkyl group, or the like; R 2 is hydrogen atom, optionally substituted alkyl group, or the like; R 3 is hydrogen atom, halogen atom, or the like; R 4 is hydrogen atom, hydroxyl, halogen atom, or the like; and Y is a group represented by the general formula (A) or the like; (A) [wherein m1 is 0, 1, 2 or 3; and the group (A) may be freed from R 6 or substituted with one or two R 6 's which are each independently halogen atom or the like.]

  提供了一种通式(I)、其前药或两者的药物可接受盐作为具有高DPP-IV抑制活性并在安全性、毒性等方面得到改进的化合物：(I)其中A1和A2之间的实线和虚线表示双键(A1=A2)或类似物；A1是C(R4)或类似物；A2是氮原子或类似物；R1是氢原子、可选取代烷基或类似物；R2是氢原子、可选取代烷基或类似物；R3是氢原子、卤原子或类似物；R4是氢原子、羟基、卤原子或类似物；Y是由通式(A)或类似物表示的基团；(A)[其中m1为0、1、2或3；基团(A)可以从R6中释放或用一个或两个R6替代，它们各自独立地是卤原子或类似物。]
• Protein-Polymer-Drug Conjugates
  申请人：Yurkovetskiy Aleksandr

  公开号：US20120321583A1

  公开（公告）日：2012-12-20

  A drug conjugate is provided herein. The conjugate comprises a protein based recognition-molecule (PBRM) and a polymeric carrier substituted with one or more -L D -D, the protein based recognition-molecule being connected to the polymeric carrier by L P . Each occurrence of D is independently a therapeutic agent having a molecular weight ≦5 kDa. L D and L P are linkers connecting the therapeutic agent and PBRM to the polymeric carrier respectively. Also disclosed are polymeric scaffolds useful for conjugating with a PBRM to form a polymer-drug-PBRM conjugate described herein, compositions comprising the conjugates, methods of their preparation, and methods of treating various disorders with the conjugates or their compositions.

  本文提供了一种药物结合物。该结合物包括一种基于蛋白质的识别分子（PBRM）和一个聚合物载体，该载体被一个或多个-LD-D取代，基于蛋白质的识别分子通过LP连接到聚合物载体上。每个D的出现都是分子量≦5 kDa的治疗剂。LD和LP是连接治疗剂和PBRM到聚合物载体的连接剂。还公开了用于与PBRM结合形成聚合物-药物-PBRM结合物的聚合物支架，包括结合物的组成，其制备方法以及使用结合物或其组成物治疗各种疾病的方法。