1,3-diamino-2-methylenepropane | 56123-06-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,3-diamino-2-methylenepropane
• 英文别名: 2-methylene-propane-1,3-diamine；1,3-diamino-2-methylene propane；2-methylenepropane-1,3-diamine；1,3-Diamino-2-methylenpropan；2-Methylidenepropane-1,3-diamine
• CAS: 56123-06-9
• 化学式: C₄H₁₀N₂
• mdl: MFCD19204256
• 分子量: 86.1368
• InChiKey: PRCGMIFKQRXNBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  6
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,3-diamino-2-methylenepropane 在 一水合肼 作用下， 生成
  参考文献：
  名称：

  Synthesis and growth regulatory activity of a prototype member of a new family of aminothiol radioprotectors

  摘要：

  The synthesis, growth inhibition and radioprotective activity of the PrC-210 aminothiol, 3-(methylamino)-2-((methylamino) methyl)propane-1-thiol, and its polyamine and thiolated polyamine progenitors are reported. All of the molecules significantly inhibited growth of cultured normal human fibroblasts. The combination of an ROS-scavenging thiol group and a positively charged alkyl-amine backbone provided the most radioprotective aminothiol molecule. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.011
• 作为产物：
  描述：

  N,N'-(2-methylene-propane-1,3-diyl)-bis-phthalimide 在 一水合肼 作用下， 生成 1,3-diamino-2-methylenepropane
  参考文献：
  名称：

  Synthesis and growth regulatory activity of a prototype member of a new family of aminothiol radioprotectors

  摘要：

  The synthesis, growth inhibition and radioprotective activity of the PrC-210 aminothiol, 3-(methylamino)-2-((methylamino) methyl)propane-1-thiol, and its polyamine and thiolated polyamine progenitors are reported. All of the molecules significantly inhibited growth of cultured normal human fibroblasts. The combination of an ROS-scavenging thiol group and a positively charged alkyl-amine backbone provided the most radioprotective aminothiol molecule. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.011

文献信息

• Quinolones used as MRS inhibitors and bactericides
  申请人：SmithKline Beecham plc

  公开号：US06320051B1

  公开（公告）日：2001-11-20

  Compounds of formula (I) are inhibitors of the bacterial enzyme S aureus methionyl tRNA synthetase and are of use in treating bacterial infections.

  化合物的化学式（I）是细菌酶S aureus甲硫氨酰tRNA合成酶的抑制剂，并可用于治疗细菌感染。
• Steric Control over Hydrogen Bonding in Crystalline Organic Solids: A Structural Study ofN,N?-Dialkylthioureas
  作者：Radu Custelcean、Maryna G. Gorbunova、Peter V. Bonnesen

  DOI：10.1002/chem.200400973

  日期：2005.2.18

  single-crystal X-ray diffraction, DFT calculations, and Cambridge Structural Database (CSD) analysis. A CSD survey indicated that unlike the related urea derivatives, which persistently self-assemble into one-dimensional hydrogen-bonded chains, the analogous thioureas can form two different hydrogen-bonding motifs in the solid state: chains, structurally similar with those found in ureas, and dimers, that further

  借助单晶X射线衍射，DFT计算和剑桥结构数据库（CSD）分析，检查了晶体N，N'-二烷基硫脲中的氢键。一项CSD调查表明，与相关的尿素衍生物不断地自组装成一维氢键链不同，类似的硫脲可以在固态下形成两个不同的氢键基序：链，与尿素中的结构相似和二聚体，它们进一步缔合成氢键合层。一个或另一个基序的形成可以通过硫脲基团上有机取代基的庞大来控制，这提供了对晶体有机固体中氢键排列进行空间控制的明显例子。
• Schulze,K. et al., Journal fur praktische Chemie (Leipzig 1954), 1977, vol. 319, p. 463 - 474
  作者：Schulze,K. et al.

  DOI：——

  日期：——
• Henning, H.; Schulze, K.; Muehlstaedt, M., Zeitschrift fur Anorganische und Allgemeine Chemie
  作者：Henning, H.、Schulze, K.、Muehlstaedt, M.、Hoyer, E.、Krimse, R.、Emeljanowa, L. S.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Rh: SVol.B2, 2.2.4.2, page 193 - 193
  作者：

  DOI：——

  日期：——