4-Oxo-6-(phenylmethoxycarbonylamino)hexanoic acid | 681802-79-9

• 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: 4-Oxo-6-(phenylmethoxycarbonylamino)hexanoic acid
• CAS: 681802-79-9
• 化学式: C₁₄H₁₇NO₅
• 分子量: 279.293
• InChiKey: OKNXWNDTXWOUHI-UHFFFAOYSA-N

物化性质

• 熔点：
  69-70 °C
• 沸点：
  514.8±40.0 °C(Predicted)
• 密度：
  1.239±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  92.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  氰化钾 、 碳酸氢铵 、 4-Oxo-6-(phenylmethoxycarbonylamino)hexanoic acid 以 乙醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Structure-based de novo design of ligands using a three-dimensional model of the insulin receptor

  摘要：

  For the first time, a three-dimensional model of the insulin receptor is used in the de novo design of novel ligands that potentially mimic interactions of insulin at its receptor. Compound 4 competed with insulin as seen in autophosphorylation assays and inhibited up to 68% of IR autophosphorylation at 300 muM of 4 in 3T3IR cells induced by 1 nM insulin. This model provides a basis for the design of potent insulin receptor ligands. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.064
• 作为产物：
  描述：

  6-phthalimido-4-oxo-hexanoic acid ethyl ester 在 盐酸 、 甲酸 、 potassium carbonate 作用下， 以 乙醚 为溶剂， 生成 4-Oxo-6-(phenylmethoxycarbonylamino)hexanoic acid
  参考文献：
  名称：

  Structure-based de novo design of ligands using a three-dimensional model of the insulin receptor

  摘要：

  For the first time, a three-dimensional model of the insulin receptor is used in the de novo design of novel ligands that potentially mimic interactions of insulin at its receptor. Compound 4 competed with insulin as seen in autophosphorylation assays and inhibited up to 68% of IR autophosphorylation at 300 muM of 4 in 3T3IR cells induced by 1 nM insulin. This model provides a basis for the design of potent insulin receptor ligands. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.064

文献信息

• POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE
  申请人：Zhang Jerry

  公开号：US20140328919A1

  公开（公告）日：2014-11-06

  Described herein are polymer-agent conjugates and particles, which can be used, for example, in the treatment of cancer. Also described herein are mixtures, compositions and dosage forms containing the particles, methods of using the particles (e.g., to treat a disorder), kits including the polymer-agent conjugates and particles, methods of making the polymer-agent conjugates and particles, methods of storing the particles and methods of analyzing the particles.

  本文描述了聚合物-药物共轭物和粒子，例如可用于癌症治疗。同时还描述了含有这些粒子的混合物、组合物和剂量形式，使用这些粒子的方法（例如用于治疗某种疾病），包括聚合物-药物共轭物和粒子的套件，制备聚合物-药物共轭物和粒子的方法，储存粒子的方法以及分析粒子的方法。