5-amino-2-butoxybenzoic acid methyl ester | 911282-07-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-amino-2-butoxybenzoic acid methyl ester
• 英文别名: Methyl 5-amino-2-butoxybenzoate
• CAS: 911282-07-0
• 化学式: C₁₂H₁₇NO₃
• 分子量: 223.272
• InChiKey: GMIIRSSDXYFNHO-UHFFFAOYSA-N

物化性质

• 沸点：
  366.6±22.0 °C(Predicted)
• 密度：
  1.099±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  61.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-amino-2-butoxybenzoic acid methyl ester 在 lithium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 1.0h， 以80%的产率得到1-(4-Amino-2-carboxyphenoxy)-butan
  参考文献：
  名称：

  Hydrogen bonding-mediated self-assembly of anthranilamide-based homodimers through preorganization of the amido and ureido binding sites

  摘要：

  Tbe self-assembly of a novel series of hydrogen bonding-mediated homodimers in chloroform-d has been described. Six anthranilamide-based monomers have been prepared, in which two self-binding formamido, trifluoroacetamido, acetamido, butyl or methyl ureido units are introduced at the two ends of the backbones. Quantitative H-1 NMR investigations in chloroform-d revealed that the formamido and ureido units are more efficient than acetamido to induce the formation of stable homodimers. The association constants of all the new homodimers have been determined by H-1 NMR dilution method. Multiply hydrogen bonding-driven binding patterns have been proposed for the homodimers. It is also found that ureido-derived homodimers do not adopt common linear binding pattern observed for simple urea derivatives. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.09.073
• 作为产物：
  描述：

  2-羟基-5-硝基苯甲酸甲酯 在 sodium tetrahydroborate 、 nickel(II) chloride hexahydrate 、 potassium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.17h， 生成 5-amino-2-butoxybenzoic acid methyl ester
  参考文献：
  名称：

  通过与C位点相互作用的修饰，发现对TC-PTP具有选择性的新型高效和细胞活性ADC型PTP1B抑制剂

  摘要：

  PTP1B作为胰岛素信号的关键负调节剂，是2型糖尿病和肥胖症的新靶标。通过分子对接辅助设计修饰N- {4-[（3-苯基-脲基）-甲基]-苯基}-甲烷磺酰胺模板的B环，使其与PTP1B C位的残基Arg47和Lys41相互作用。发现一系列新型的PTP1B高效抑制剂。与PTP1B的C位点相互作用的结构活性关系已得到很好的说明。化合物8和18被证明是高效，最有前途的PTP1B抑制剂，与高度同源的TCPTP和其他PTP相比，具有细胞活性和极大的选择性。

  DOI：

  10.1016/j.ejmech.2017.12.064

文献信息

• N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF
  申请人：Yokotani Junichi

  公开号：US20110275797A1

  公开（公告）日：2011-11-10

  An N-acyl anthranilic acid derivative represented by general formula (1) or a salt thereof is useful for prevention or treatment of diseases associated with excessive production of collagen. (In the formula, R 1 represents a carboxyl group or the like; R 2 represents a hydrogen atom or the like; R 3 represents an optionally substituted aryl group or the like; X 1 represents a carbonyl group; X 2 represents a bonding hand; X 3 represents a bonding hand; X 4 represents a bonding hand or the like; and A represents an optionally substituted phenyl group or the like.)

  通用公式（1）表示的N-酰基蒽酸衍生物或其盐对预防或治疗与胶原蛋白过度产生相关的疾病具有用处。（在该公式中，R1代表羧基或类似物；R2代表氢原子或类似物；R3代表可选择取代的芳基或类似物；X1代表羰基；X2代表连接手；X3代表连接手；X4代表连接手或类似物；A代表可选择取代的苯基或类似物。）
• 一种2-丁氧基-5-[3-（2,5-二乙氧基-4-甲磺酰基-苄基）-脲基]-苯甲酸甲酯新化合物、制备方法及用途
  申请人：齐鲁工业大学

  公开号：CN105820077A

  公开（公告）日：2016-08-03

  本发明提供了一种新化合物，该化合物的名称为2-丁氧基-5-[3-（2,5-二乙氧基-4-甲磺酰基-苄基）-脲基]-苯甲酸甲酯，该化合物的分子量为537.6，该化合物的结构见结构式（化合物1）；同时本发明提供了该化合物1的制备方法；本发明提供的化合物有很好的类药性，可用于新药研究领域尤其是II型糖尿病创新药物研究领域。
• [EN] PROSTAGLANDIN TRANSPORTER INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE TRANSPORTEUR DE PROSTAGLANDINE ET LEURS UTILISATIONS
  申请人：EINSTEIN COLL MED

  公开号：WO2011037610A1

  公开（公告）日：2011-03-31

  Disclosed are compounds for inhibiting prostaglandin transporter (PGT) activity, pharmaceuticals compositions including the compounds, and methods of treating subjects using the compounds.

  揭示了用于抑制前列腺素转运体（PGT）活性的化合物，包括这些化合物的药物组合物，以及使用这些化合物治疗受试者的方法。
• [EN] TREATMENT OF OBESITY AND PULMONARY ARTERIAL HYPERTENSION<br/>[FR] TRAITEMENT DE L'OBÉSITÉ ET DE L'HYPERTENSION ARTÉRIELLE PULMONAIRE
  申请人：EINSTEIN COLL MED

  公开号：WO2014204895A1

  公开（公告）日：2014-12-24

  Disclosed are methods and compositions for treating pulmonary arterial hypertension and/or obesity using inhibitors of prostaglandin transporter (PGT) activity.

  本发明涉及使用前列腺素转运体（PGT）活性抑制剂治疗肺动脉高压和/或肥胖的方法和组合物。
• Hydrogen Bonding-Directed Multicomponent Dynamic Covalent Assembly of Mono- and Bimacrocycles. Self-Sorting and Macrocycle Exchange
  作者：Jian-Bin Lin、Xiao-Na Xu、Xi-Kui Jiang、Zhan-Ting Li

  DOI：10.1021/jo801972s

  日期：2008.12.5

  This paper describes the multicomponent dynamic covalent assembly of macrocyclic structures by utilizing hydrogen bonding-driven zigzag anthranilamides as "leading" components. Two or three amino groups have been introduced to one side of hydrogen bonded anthranilamide oligomers. The preorganization of the frameworks enabled the amino groups to condense with structurally matched aldehydes to form mono- and bimacrocycles in good to quantitative yields. Reactions from Lip to five components have been investigated. which involved one-step formation of up to six imine bonds. The preorganization of the templates highly enhanced the stability of the macrocyclic structures. As a result, all the macrocycles Could be purified by simply recrystallizing the Crude products from suitable solvents. Coexisting experiments of three series of three to five components were also performed, which all revealed that the preorganized precursors possessed high self-sorting capacity. On the basis of the same approach, a hydrazone-based macrocycle was also prepared quantitatively, while an intermacrocycle hydrazone-imine exchange was revealed to facilitate the formation of the hydrazone-based macrocycle from an imine-based macrocycle.