3-Methyl-butyric acid 2-[2-(3-methyl-butyryloxymethoxy)-ethoxy]-ethoxymethyl ester | 40657-42-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-Methyl-butyric acid 2-[2-(3-methyl-butyryloxymethoxy)-ethoxy]-ethoxymethyl ester
• 英文别名: 2-[2-(3-Methylbutanoyloxymethoxy)ethoxy]ethoxymethyl 3-methylbutanoate
• CAS: 40657-42-9
• 化学式: C₁₆H₃₀O₇
• 分子量: 334.41
• InChiKey: DZJGMKZDVSNXKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  23
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• SUPRAMETALLOGELS AND USES THEREOF
  申请人：Massachusetts Institute of Technology

  公开号：US20150225438A1

  公开（公告）日：2015-08-13

  The disclosure provides nanostructures (e.g., nanospheres and nano-paddlewheels) formed through transition metal-ligand (e.g., Pd(II)-, Ni(II)-, or Fe(II)-ligand of Formula (A)) coordination and junction self-assembly. The disclosure also provides supramolecular complexes that include the nanostructures connected by divalent linkers Y. The provided supramolecular complexes are able to form gels (e.g., hydrogels). The gels are suprametallogels and exhibited excellent mechanical properties without sacrificing self-healing and showed high robustness and storage modulus. The present disclosure further provides compositions (e.g., gels) that include the nanostructures or supramolecular complexes and optionally an agent (e.g., small molecule), where the nanostructures and the nanostructure moieties of the supramolecular complexes may encapsulate and slowly release the agent. The nanostructures, supramolecular complex, and compositions may be useful in delivering an agent to a subject, tissue, or cell, as super-absorbent materials, and in treating a disease (e.g., a genetic diseases, proliferative disease (e.g., cancer or benign neoplasm), hematological disease, neurological disease, gastrointestinal disease (e.g., liver disease), spleen disease, respiratory disease (e.g., lung disease), painful condition, genitourinary disease, musculoskeletal condition, infectious disease, inflammatory disease, autoimmune disease, psychiatric disorder, or metabolic disorder).

  该披露提供了通过过渡金属配体（例如Pd(II)-、Ni(II)-或Fe(II)-配体的A式）协调和连接自组装形成的纳米结构（例如纳米球和纳米桨轮）。该披露还提供了由二价连接剂Y连接的纳米结构的超分子复合物。提供的超分子复合物能够形成凝胶（例如水凝胶）。这些凝胶是超金属凝胶，具有出色的机械性能，不会牺牲自愈能力，并展现出高韧性和储存模量。本披露还提供了包括纳米结构或超分子复合物以及可选药剂（例如小分子）的组合物（例如凝胶），其中纳米结构和超分子复合物的纳米结构部分可以包裹并缓慢释放药剂。这些纳米结构、超分子复合物和组合物可用于将药剂输送至受体、组织或细胞，作为超吸水材料，并用于治疗疾病（例如遗传疾病、增生性疾病（例如癌症或良性肿瘤）、血液疾病、神经系统疾病、胃肠疾病（例如肝病）、脾脏疾病、呼吸系统疾病（例如肺部疾病）、疼痛症状、泌尿生殖系统疾病、肌肉骨骼状况、传染病、炎症性疾病、自身免疫疾病、精神障碍或代谢性疾病）。
• Suprametallogels and uses thereof
  申请人：Massachusetts Institute of Technology

  公开号：US10023536B2

  公开（公告）日：2018-07-17

  The disclosure provides nanostructures (e.g., nanospheres and nano-paddlewheels) formed through transition metal-ligand (e.g., Pd(II)-, Ni(II)-, or Fe(II)-ligand of Formula (A)) coordination and junction self-assembly. The disclosure also provides supramolecular complexes that include the nanostructures connected by divalent linkers Y. The provided supramolecular complexes are able to form gels (e.g., hydrogels). The gels are suprametallogels and exhibited excellent mechanical properties without sacrificing self-healing and showed high robustness and storage modulus. The present disclosure further provides compositions (e.g., gels) that include the nanostructures or supramolecular complexes and optionally an agent (e.g., small molecule), where the nanostructures and the nanostructure moieties of the supramolecular complexes may encapsulate and slowly release the agent. The nanostructures, supramolecular complex, and compositions may be useful in delivering an agent to a subject, tissue, or cell, as super-absorbent materials, and in treating a disease (e.g., a genetic diseases, proliferative disease (e.g., cancer or benign neoplasm), hematological disease, neurological disease, gastrointestinal disease (e.g., liver disease), spleen disease, respiratory disease (e.g., lung disease), painful condition, genitourinary disease, musculoskeletal condition, infectious disease, inflammatory disease, autoimmune disease, psychiatric disorder, or metabolic disorder).

  本发明提供了通过过渡金属-配体（如式（A）的钯（II）-、镍（II）-或铁（II）-配体）配位和结点自组装形成的纳米结构（如纳米球和纳米桨叶）。本公开还提供了超分子复合物，其中包括通过二价连接剂 Y 连接的纳米结构。所提供的超分子复合物能够形成凝胶（如水凝胶）。凝胶是超金属凝胶，在不牺牲自愈合的情况下表现出优异的机械性能，并显示出较高的坚固性和储存模量。本公开进一步提供了包括纳米结构或超分子复合物和可选药剂（如小分子）的组合物（如凝胶），其中纳米结构和超分子复合物的纳米结构分子可包裹并缓慢释放药剂。纳米结构、超分子复合物和组合物可作为超吸收材料用于向受试者、组织或细胞递送药剂，以及治疗疾病（如遗传性疾病、增殖性疾病（如癌症或良性肿瘤）、血液病、神经系统疾病、胃肠道疾病（如肝脏疾病、脾脏疾病、呼吸系统疾病等））、肝病）、脾脏疾病、呼吸系统疾病（如肺病）、疼痛、泌尿生殖系统疾病、肌肉骨骼疾病、传染病、炎症性疾病、自身免疫性疾病、精神疾病或代谢紊乱）。
• US9447129B2
  申请人：——

  公开号：US9447129B2

  公开（公告）日：2016-09-20