1,1,1-tris(acetamido)methane | 29284-49-9

• 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
• 英文名称: 1,1,1-tris(acetamido)methane
• 英文别名: N-(Bis-acetylamino-methyl)-acetamide；N-(diacetamidomethyl)acetamide
• CAS: 29284-49-9
• 化学式: C₇H₁₃N₃O₃
• 分子量: 187.199
• InChiKey: IXWBEJQARFKXJY-UHFFFAOYSA-N

物化性质

• 熔点：
  261 °C (decomp)(Solv: water (7732-18-5))
• 沸点：
  606.1±50.0 °C(Predicted)
• 密度：
  1.153±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  87.3
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,1,1-tris(acetamido)methane 、 苯乙酮 在 硫酸 作用下， 生成 (2-Acetamino-vinyl)-phenyl-keton
  参考文献：
  名称：

  Bredereck,H. et al., Chemische Berichte, 1963, vol. 96, p. 1505 - 1514

  摘要：

  DOI：
• 作为产物：
  描述：

  N-acetyl dimethylsulfimide 生成 1,1,1-tris(acetamido)methane
  参考文献：
  名称：

  Iminosulfuranes (sulfilimines). V. Thermolysis of N-acetyliminodialkylsulfuranes

  摘要：

  DOI：

  10.1021/jo00973a011

文献信息

• Dihydro-benzo[b][1,4]diazepin-2-one derivatives
  申请人：——

  公开号：US20030166639A1

  公开（公告）日：2003-09-04

  This invention relates to dihydro-benzo[b][1,4]diazepin-2-one derivatives of the formula 1 wherein R 1 , R 2 , X and Y are as defined in the specification and R 3 is a six-membered aromatic heterocycle containing 1 to 3 nitrogen atoms or a pyridine-N-oxide as further defined in the specification. The invention further relates to medicaments containing these compounds, a process for their preparation as well as their use for preparation of medicaments for the treatment or prevention of acute and/or chronic neurological disorders.

  这项发明涉及公式为1的二氢苯并[b][1,4]二氮杂二氢吡嗪-2-酮衍生物，其中R 1 ，R 2 ，X和Y如规范中所定义，R 3 是含有1至3个氮原子的六元芳香杂环或如规范中进一步定义的吡啶-N-氧化物。该发明还涉及含有这些化合物的药物、它们的制备方法以及它们用于制备治疗或预防急性和/或慢性神经系统疾病的药物。
• Orthoamides by selective borohydride reduction of N,N′,N″-triacyl- and N,N′,N″-tri(alkoxycarbonyl)-guanidines
  作者：Matthew C. Davis、Thomas J. Groshens

  DOI：10.1016/j.tetlet.2018.12.060

  日期：2019.1

  N,N′,N″-Triacylguanidines and N,N′,N″-tri(alkoxycarbonyl)guanidines were prepared and reduced with borohydride salts in a mixture of tetrahydrofuran and acetic acid to give triacyl and tri(alkoxycarbonyl) orthoamides in yields of 40–85%. However, similar reduction of N,N′,N″-tri(t-butoxycarbonyl)guanidine did not give orthoamide but the aminal di(t-butyl) methylenedicarbamate.

  Ñ，Ñ '，Ñ “-Triacylguanidines和Ñ，Ñ '，Ñ ” -三（烷氧基羰基）胍的制备和在四氢呋喃和乙酸的混合物中，用硼氢化盐还原，得到三酰基中的产率和三（烷氧基羰基）orthoamides 40–85％。但是，类似的减少Ñ，Ñ '，Ñ “ -三（吨丁氧基羰基）胍没有给orthoamide但缩醛胺二（吨丁基）亚甲基二。
• NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF
  申请人：Chaki Hisaaki

  公开号：US20090118169A1

  公开（公告）日：2009-05-07

  A compound comprising the atom corresponding to N 3 and the two or more atoms selected from N 1 , N 2 , N 4 and N 5 , said atoms constitute the pharmacophore represented by the following formula: wherein N 1 represents an atom to which a donative hydrogen atom in a hydrogen-bond donating group is bonded or a hydrogen-bond accepting atom in a hydrogen-bond accepting group; N 3 represents a hydrogen-bond accepting atom in a hydrogen-bond accepting group; and N 2 , N 4 and N 5 independently represents an arbitrary carbon atom constituting a hydrophobic group and defined by the interatomic distances between N 1 , N 2 , N 3 , N 4 and N 5 ; and, in the optimized three-dimensional structure thereof, the distances between the atom corresponding to N 3 and the two or more atoms selected from N 1 , N 2 , N 4 and N 5 , in the optimized steric structure thereof, are the interatomic distances in a pharmacophore; or a salt thereof; inhibits the activity of transcription factor AP-1 and is useful as an agent for preventing and treating the diseases into which overexpression of AP-1 participates and as an AP-1 inhibitor.

  该化合物由与N3对应的原子和从N1、N2、N4和N5中选择的两个或更多原子组成，这些原子构成了以下公式所代表的药效团：其中，N1代表氢键供体基团中的给氢原子所结合的原子或氢键受体基团中的接受氢原子的原子；N3代表氢键受体基团中的接受氢原子的原子；N2、N4和N5分别独立地表示构成疏水基团的任意碳原子，并由N1、N2、N3、N4和N5之间的原子间距离定义；在其优化的三维结构中，N3对应的原子与从N1、N2、N4和N5中选择的两个或更多原子之间的距离，在其优化的立体结构中，是药效团中的原子间距离；或其盐；抑制转录因子AP-1的活性，并且作为预防和治疗过度表达AP-1参与的疾病和AP-1抑制剂的制剂是有用的。
• NOVEL COMPOUNDS AND MEDICINAL USE THEREOF
  申请人：TOYAMA CHEMICAL CO., LTD.

  公开号：EP1127869A1

  公开（公告）日：2001-08-29

  A compound comprising the atom corresponding to N3 and the two or more atoms selected from N1, N2, N4 and N5, said atoms constitute the pharmacophore represented by the following formula: wherein N1 represents an atom to which a donative hydrogen atom in a hydrogen-bond donating group is bonded or a hydrogen-bond accepting atom in a hydrogen-bond accepting group; N3 represents a hydrogen-bond accepting atom in a hydrogen-bond accepting group; and N2, N4 and N5 independently represents an arbitrary carbon atom constituting a hydrophobic group and defined by the interatomic distances between N1, N2, N3, N4 and N5; and, in the optimized three-dimensional structure thereof, the distances between the atom corresponding to N3 and the two or more atoms selected from N1, N2, N4 and N5, in the optimized steric structure thereof, are the interatomic distances in a pharmacophore; or a salt thereof;    inhibits the activity of transcription factor AP-1 and is useful as an agent for preventing and treating the diseases into which overexpression of AP-1 participates and as an AP-1 inhibitor.

  一种化合物，包括与 N3 相对应的原子和选自 N1、N2、N4 和 N5 的两个或两个以上原子，所述原子构成下式所代表的药层： 其中，N1 代表与氢键供体基团中的供体氢原子成键的原子或氢键受体基团中的氢键受体原子；N3 代表氢键受体基团中的氢键受体原子；N2、N4 和 N5 独立地代表构成疏水基团的任意碳原子，并由 N1、N2、N3、N4 和 N5 之间的原子间距离确定；并且，在其优化的三维结构中，在其优化的立体结构中，对应于 N3 的原子与选自 N1、N2、N4 和 N5 的两个或多个原子之间的距离是药层中的原子间距离；或其盐； 抑制转录因子 AP-1 的活性，可用作预防和治疗 AP-1 过度表达导致的疾病的药物和 AP-1 抑制剂。
• Terpigorev; Germanova; Bazanov, Russian Journal of Organic Chemistry, 1997, vol. 33, # 12, p. 1712 - 1720
  作者：Terpigorev、Germanova、Bazanov

  DOI：——

  日期：——