N,N,N'-trimethylpropanediamide | 125111-72-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N,N,N'-trimethylpropanediamide
• 英文别名: N,N',N'-trimethylpropanediamide
• CAS: 125111-72-0
• 化学式: C₆H₁₂N₂O₂
• mdl: MFCD19218530
• 分子量: 144.173
• InChiKey: GGHQODBAXSVBDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  mono-N,N-dimethylamide of malonic acid 、 甲胺 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 生成 N,N,N'-trimethylpropanediamide
  参考文献：
  名称：

  Conformation-directing effects of a single intramolecular amide-amide hydrogen bond: variable-temperature NMR and IR studies on a homologous diamide series

  摘要：

  We have studied intramolecular hydrogen bonding in a homologous series of diamides (compounds 1-6) in methylene chloride, 9:1 carbon tetrachloride/benzene, and acetonitrile. By correlating variable-temperature H-1 NMR and IR measurements, we have shown that the temperature dependence of the amide proton NMR chemical shift (DELTA-delta/DELTA-T) can provide qualitative (and in some cases quantitative) information on the thermodynamic relationship between the intramolecularly hydrogen bonded and non-hydrogen-bonded states of flexible molecules. Among the hydrogen-bonded ring sizes represented in the diamide series, the intramolecular interaction is particularly enthalpically favorable in the nine-membered hydrogen-bonded ring (compound 4). Variable-temperature IR and NMR data indicate that the internally hydrogen bonded state of diamide 4 is 1.4-1.6 kcal/mol more favorable enthalpically than the non-hydrogen-bonded state, in methylene chloride solution; the non-hydrogen-bonded state is 6.8-8.3 eu more favorable entropically in this solvent. In contrast, there appear to be much smaller enthalpy differences between the internally hydrogen bonded and non-hydrogen-bonded states of diamides 2 and 3. Our findings are important methodologically because the temperature dependences of amide proton chemical shifts are commonly used to elucidate peptide conformation in solution. Our results show that previous "rules" for the interpretation of such data are incomplete. In non-hydrogen-bonding solvents, small amide proton DELTA-delta/DELTA-T values have been taken to mean that the proton is either entirely free of hydrogen bonding or completely locked in an intramolecular hydrogen bond over the temperature range studied. We demonstrate that an amide proton can be equilibrating between intramolecularly hydrogen bonded and non-hydrogen-bonded states and still manifest a small chemical shift temperature dependence (implying that the hydrogen-bonded and non-hydrogen-bonded states are of similar enthalpy).

  DOI：

  10.1021/ja00004a016

文献信息

• Substituted furo[2,3-b]pyridine derivatives
  申请人：Toupence B. Richard

  公开号：US20050272763A1

  公开（公告）日：2005-12-08

  Novel compounds of the structural formula (I) are antagonists and/or inverse agonists of the Cannabinoid-1 (CB1) receptor and are useful in the treatment, prevention and suppression of diseases mediated by the CB1 receptor. The compounds of the present invention are useful as centrally acting drugs in the treatment of psychosis, memory deficits, cognitive disorders, migraine, neuropathy, neuro-inflammatory disorders including multiple sclerosis and Guillain-Barre syndrome and the inflammatory sequelae of viral encephalitis, cerebral vascular accidents, and head trauma, anxiety disorders, stress, epilepsy, Parkinson's disease, movement disorders, and schizophrenia. The compounds are also useful for the treatment of substance abuse disorders, the treatment of obesity or eating disorders, as well as the treatment of asthma, constipation, chronic intestinal pseudo-obstruction, and cirrhosis of the liver.

  结构式（I）的新型化合物是大麻素-1（CB1）受体的拮抗剂和/或反向激动剂，可用于治疗、预防和抑制由CB1受体介导的疾病。本发明的化合物可用作中枢作用药物，用于治疗精神病、记忆障碍、认知障碍、偏头痛、神经病、神经炎性疾病（包括多发性硬化和格林-巴利综合征）和病毒性脑炎、脑血管意外和头部创伤的炎症后遗症、焦虑症、压力、癫痫、帕金森病、运动障碍和精神分裂症。这些化合物还可用于治疗物质滥用障碍、肥胖症或进食障碍，以及哮喘、便秘、慢性肠假性梗阻和肝硬化的治疗。
• NOVEL PIPERIDINE COMPOUND
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP1513814B1

  公开（公告）日：2010-03-17
• Medical Devices and Polymers Therefor Having PTFE Surfaces Modified With Nitric Oxide-Releasing Polymers
  申请人：Chen Mingfei

  公开号：US20110301299A1

  公开（公告）日：2011-12-08

  Described herein are polymers useful for forming or coating implantable medical devices and such medical devices. The polymers are biocompatible and hemocompatible and comprise PTFE surfaces modified by covalently linking a nitric oxide releasing polymer to the PTFE surface through a linking group. Further described are precursor polymers and processes for preparing such polymers and precursor polymers.
• US5554627A
  申请人：——

  公开号：US5554627A

  公开（公告）日：1996-09-10
• US7091216B2
  申请人：——

  公开号：US7091216B2

  公开（公告）日：2006-08-15