1,3-丙烷二基二(溴乙酸酯) | 77403-77-1

• 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
• 中文名称: 1,3-丙烷二基二(溴乙酸酯)
• 英文名称: Bromo-acetic acid 3-(2-bromo-acetoxy)-propyl ester
• 英文别名: Propane-1,3-diyl bis(bromoacetate)；3-(2-bromoacetyl)oxypropyl 2-bromoacetate
• CAS: 77403-77-1
• 化学式: C₇H₁₀Br₂O₄
• 分子量: 317.962
• InChiKey: OLJMMTCILHIUQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(4'-pyridylazo)-25,26,27-tris(ethoxycarbonylmethoxy)-28-hydroxycalix[4]arene 、 1,3-丙烷二基二(溴乙酸酯) 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and metal recognition of biscalix[4]arenes. Intramolecular metal-hopping as detected by 1H NMR spectroscopy

  摘要：

  Ionophoric biscalix[4]aryl esters in which the lower edges confront each other were synthesized. Through the H-1 NMR spectral examination, we found a novel phenomenon that Na+ hops in a H-1 NMR time-scale between the two metal-binding sites.

  DOI：

  10.1016/s0040-4039(00)60368-4
• 作为产物：
  描述：

  二氯甲烷 、 溴乙酰氯 、 1,3-丙二醇 在 氮气 、 silica gel 作用下， 以 chloroform methanol 为溶剂， 反应 48.0h， 生成 1,3-丙烷二基二(溴乙酸酯)
  参考文献：
  名称：

  Inactivators and bivalent inhibitors of glyoxalase i and methods inhibiting tumor growth

  摘要：

  本发明提供了由化学连接剂共价连接的两种人类GlxI抑制剂组成的化合物，其中每种人类GlxI抑制剂（可以相同或不同）是S-取代谷胱甘肽或S-取代谷胱甘肽前药，其中每个GlxI抑制剂具有γ-谷氨酰氨基，其中所述化学连接剂通过所述γ-谷氨酰氨基与每个GlxI抑制剂共价结合，且所述化学连接剂的长度至少为50埃。本发明还提供了人类GlxI的单价不可逆失活剂。本发明还提供了一种抗肿瘤组合物，其包括上述化合物和药学上可接受的载体。本发明还提供了预防或抑制肿瘤细胞和/或肿瘤生长和增殖的体外和体内方法。

  公开号：

  US20070129311A1

文献信息

• Inactivators and bivalent inhibitors of glyoxalase I and methods of inhibiting tumor growth
  申请人：University of Maryland, Baltimore County

  公开号：US07700560B2

  公开（公告）日：2010-04-20

  Compounds comprising two human GlxI inhibitors covalently linked via a chemical linker are provided, wherein each of said two human GlxI inhibitors, which may be the same or different, is an S-substituted glutathione or an S-substituted glutathione prodrug, wherein said GlxI inhibitors each have a γ-glutamyl amino group, wherein said chemical linker is covalently bound to each GlxI inhibitor via said γ-glutamyl amino group, and wherein said chemical linker has a length of at least 50 Angstroms. Monovalent irreversible inactivators of human GlxI are also provided. An antineoplastic composition is provided, which comprises a compound described above and a pharmaceutically acceptable carrier. In vitro and in vivo methods of preventing or inhibiting the growth and proliferation of neoplastic cells and/or tumors are also provided.

  提供了由化学连接剂共价连接的两种人类GlxI抑制剂组成的化合物，其中每种人类GlxI抑制剂（可以相同或不同）是S-取代谷胱甘肽或S-取代谷胱甘肽前药，其中每种GlxI抑制剂都具有γ-谷氨酰氨基，其中所述化学连接剂通过所述γ-谷氨酰氨基共价结合到每个GlxI抑制剂上，并且所述化学连接剂具有至少50埃的长度。还提供了人类GlxI的单价不可逆失活剂。提供了一种抗肿瘤组合物，其中包括上述化合物和药学上可接受的载体。还提供了预防或抑制肿瘤细胞和/或肿瘤生长和增殖的体外和体内方法。
• METHOD OF SELECTING ANTIMICROBIAL AGENT AND METHOD OF USING THE SAME
  申请人：Kurita Water Industries Ltd.

  公开号：EP1350431A1

  公开（公告）日：2003-10-08

  The present invention provides for a method for selecting an antimicrobial agent, which comprises a microbe analyzing step in which microbes in the microbial biota of a sample are analyzed based on base sequence of DNA and an antimicrobial agent selecting step comprising performing search in a data base storing data for industrial antimicrobial agents applicable to the analyzed microbes recited at effective concentrations, picking up industrial antimicrobial agents effective for the microbial biota, dominant microbe or specific microbe(s) in the sample analyzed in the above microbe analyzing step and selecting among the picked up ones an industrial antimicrobial agent, which method permits to select an antimicrobial agent that is optimun for the treatment in a simple and assured manner within a brief time and to grasp whether the effect of the antimicrobial agent is revealed or not in a simple and assured manner within a brief time, by utilizing this selecting method for the selection of antimicrobial agent, for example, in an antimicrobial treating, in monitoring of the antimicrobial effect, in slime control in paper-manufacturing process courses and in microbe inhibition in paper manufacturing process courses, whereby troubles caused by growth of microbes can be prevented beforehand.

  本发明提供了一种选择抗菌剂的方法，该方法包括微生物分析步骤和抗菌剂选择步骤，前者是根据 DNA 碱基序列分析样品微生物生物群中的微生物，后者是在数据库中搜索适用于所分析微生物的有效浓度的工业抗菌剂数据、从上述微生物分析步骤分析的样品中挑选出对微生物生物群、优势微生物或特定微生物有效的工业抗菌剂，并从挑选出的抗菌剂中选出一种工业抗菌剂、利用这种抗菌剂选择方法，可以在很短的时间内简便、可靠地选择出最适合处理的抗菌剂，并在很短的时间内简便、可靠地掌握抗菌剂的效果是否显现、例如，在抗菌处理、抗菌效果监测、造纸工艺过程中的粘液控制和造纸工艺过程中的微生物抑制中，利用这种选择方法可以事先预防微生物生长引起的问题。
• Method of selecting antimicrobial agent and method of using the same
  申请人：——

  公开号：US20040132095A1

  公开（公告）日：2004-07-08

  The present invention provides for a method for selecting an antimicrobial agent, which comprises a microbe analyzing step in which microbes in the microbial biota of a sample are analyzed based on base sequence of DNA and an antimicrobial agent selecting step comprising performing search in a data base storing data for industrial antimicrobial agents applicable to the analyzed microbes recited at effective concentrations, picking up industrial antimicrobial agents effective for the microbial biota, dominant microbe or specific microbe(s) in the sample analyzed in the above microbe analyzing step and selecting among the picked up ones an industrial antimicrobial agent, which method permits to select an antimicrobial agent that is optimun for the treatment in a simple and assured manner within a brief time and to grasp whether the effect of the antimicrobial agent is revealed or not in a simple and assured manner within a brief time, by utilizing this selecting method for the selection of antimicrobial agent, for example, in an antimicrobial treating, in monitoring of the antimicrobial effect, in slime control in paper-manufacturing process courses and in microbe inhibition in paper manufacturing process courses, whereby troubles caused by growth of microbes can be prevented beforehand.

  本发明提供了一种选择抗菌剂的方法，该方法包括微生物分析步骤和抗菌剂选择步骤，前者是根据 DNA 碱基序列分析样品微生物生物群中的微生物，后者是在数据库中搜索适用于所分析微生物的有效浓度的工业抗菌剂数据、从上述微生物分析步骤分析的样品中挑选出对微生物生物群、优势微生物或特定微生物有效的工业抗菌剂，并从挑选出的抗菌剂中选出一种工业抗菌剂、利用这种抗菌剂选择方法，可以在很短的时间内简便、可靠地选择出最适合处理的抗菌剂，并在很短的时间内简便、可靠地掌握抗菌剂的效果是否显现、例如，在抗菌处理、抗菌效果监测、造纸工艺过程中的粘液控制和造纸工艺过程中的微生物抑制中，利用这种选择方法可以事先预防微生物生长引起的问题。
• Thiele; Ahmed; Jahn, Arzneimittel-Forschung/Drug Research, 1979, vol. 29, # 5, p. 711 - 720
  作者：Thiele、Ahmed、Jahn、Adrian

  DOI：——

  日期：——
• INACTIVATORS AND BIVALENT INHIBITORS OF GLYOXALASE I AND METHODS OF INHIBITING TUMOR GROWTH
  申请人：University of Maryland, Baltimore County

  公开号：EP1628999A2

  公开（公告）日：2006-03-01