丙脒盐酸盐 | 39800-84-5

• 物质功能分类: 化学试剂 - 有机试剂 - 肟
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 丙脒盐酸盐
• 中文别名: 丙脒HCL；盐酸丙脒
• 英文名称: propamidine
• 英文别名: Propionamidin；ethylcarbamidine；Propanimidamide
• CAS: 39800-84-5
• 化学式: C₃H₈N₂
• mdl: MFCD00939262
• 分子量: 72.1099
• InChiKey: GNFWGDKKNWGGJY-UHFFFAOYSA-N

物化性质

• 沸点：
  90.8±23.0 °C(Predicted)
• 密度：
  0.99±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  5
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  49.9
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 包装等级：
  II
• 危险类别：
  3
• 危险性防范说明：
  P210,P261,P305+P351+P338
• 危险品运输编号：
  1993
• 危险性描述：
  H225,H315,H319,H335
• 储存条件：
  室温且干燥

反应信息

• 作为反应物：
  描述：

  丙脒盐酸盐 生成 2-乙基-4,6-二羟基嘧啶
  参考文献：
  名称：

  WADE, J. J.

  摘要：

  DOI：
• 作为产物：
  描述：

  丙腈 在 盐酸 、 氨 作用下， 以 乙醇 为溶剂， 以30%的产率得到丙脒盐酸盐
  参考文献：
  名称：

  Pyrimidinone derivatives

  摘要：

  该发明涉及嘧啶酮衍生物及其药用盐，具有显著的抗肾素Ⅱ受体作用，因此在治疗由肾素Ⅱ引起的心血管疾病中具有用处。

  公开号：

  US05869476A1

文献信息

• Styrylamidines
  申请人：Mead Johnson & Company

  公开号：US04052455A1

  公开（公告）日：1977-10-04

  Styrylamidines are prepared by treating styrylsulfonylamidines with base. The styrylamidines are effective in the prevention of aggregation of blood platelets and as analgesics. Compounds of the invention are also useful as anticonvulsants, diuretics and antihypertensive agents. The styrylsulfonylamidines of the invention which serve as precursors to the styrylamidines also have analgesic properties. Illustrative of the styrylamidines of the present invention are 4-amino-N-(4-aminostyryl)benzamidine and N-(3,4-dichlorostyryl)acetamidine. An example of a styrylsulfonylamidine is N-(styrylsulfonyl)acetamidine.

  Styrylamidines是通过用碱处理styrylsulfonylamidines制备的。这些styrylamidines在预防血小板聚集和作为止痛药方面非常有效。该发明的化合物还可用作抗癫痫药、利尿剂和降压药。该发明的styrylsulfonylamidines作为styrylamidines的前体也具有止痛特性。本发明的styrylamidines的示例包括4-氨基-N-(4-氨基styryl)苯胺和N-(3,4-二氯styryl)乙酰胺。styrylsulfonylamidine的一个例子是N-(styrylsulfonyl)乙酰胺。
• Synthesis and Reactivity of Disubstituted 4,4′-Bipyrimidines: Preparation of a New Pentadentate Ligand
  作者：Anne-Laure Papet、Alain Marsura

  DOI：10.1055/s-1993-25886

  日期：——

  Synthesis of 2,2′-disubstitued 6,6′-diphenyl-4,4-bipyrimidines (bpm) and their reactivity towards oxidation and bromination is investigated. Preparation of a pentadentate ligand by a template reaction from 2-bromomethyl-4,4′-bipyrimidine unit is reported.

  研究了2，2'-二取代6，6'-二苯基4，4'-联吡啶(bpm)的合成及其氧化和溴化反应性。报道了通过模板反应从2-溴甲基-4，4'-联吡啶单元制备五齿配体的方法。
• [EN] COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS<br/>[FR] COMPOSÉS ET LEUR UTILISATION EN TANT QU'ACTIVATEURS DE PDE4
  申请人：MIRONID LTD

  公开号：WO2018060704A1

  公开（公告）日：2018-04-05

  Compounds of Formula (I), which are activators of long form cyclic nucleotide phosphodiesterase-4 (PDE4) enzymes (isoforms) are provided. Methods and uses of these compounds for the treatment or prevention of disorders requiring a reduction of second messenger responses mediated by cyclic 3', 5'-adenosine monophosphate (cAMP) are also described. (Formula (I))

  Formula (I)的化合物是长形环核苷酸磷酸二酯酶-4（PDE4）酶（同工酶）的激活剂。还描述了这些化合物用于治疗或预防需要通过环3'，5'-腺苷酸单磷酸（cAMP）介导的第二信使反应减少的疾病的方法和用途。
• Study of the coordination and solution structures for the interaction systems between diperoxidovanadate complexes and 4-(pyridin-2-yl)pyrimidine-like ligands
  作者：Xian-Yong Yu、Ping-Gui Yi、Dan-Hong Ji、Bi-Rong Zeng、Xiao-Fang Li、Xin Xu

  DOI：10.1039/c2dt12334g

  日期：——

  To understand the substitution effects of 4-(pyridin-2-yl)pyrimidine (pprd) on the coordination reaction equilibria, the interactions between a series of the pprd-like ligands and [OV(O2)2(H2O)]− or [OV(O2)2(HOD)]− or [OV(O2)2(D2O)]− (bpV) have been explored by a combination of multinuclear (1H, 13C, and 51V) magnetic resonance, heteronuclear single quantum coherence (HSQC) and variable temperature NMR in a 0.15 mol L−1 NaCl D2O solution that mimics physiological conditions. The direct NMR data are reported for the first time. Competitive coordination interactions result in a series of new hepta-coordinated peroxidovanadate species [OV(O2)2LL′]− (LL′ = pprd-like chelating ligands). The equilibrium constants for the products between bpV and the pprd-like ligands show that the relative affinity of the ligands is pprd ≈ 2-NH2-pprd > 2-Me-pprd > 2-Et-pprd > 4-(6-methylpyridin-2-yl)pyrimidine (abbr. 6′-Me-pprd). When the ligand is pprd, a pair of isomers (Isomer A and B) are observed in aqueous solution, which are attributed to the different types of coordination modes between the metal and the ligands, while the crystal structure of NH4[OV(O2)2(pprd)]·2H2O has the same coordination structure as Isomer A. For substituted pprd ligands, however, only one type of structure (Isomer A or B ) is observed in solution. These results demonstrate that, when the aromatic ring has a substitution group, both the steric effect (from the alkyl) and hydrogen bonding (from the amine) can affect the coordination reaction equilibrium to prevent the appearance of either Isomer B in solution for the ligands 2-Me-pprd, 2-NH2-pprd, 2-Et-pprd, or Isomer A in solution for 6′-Me-pprd.

  为了理解4-(吡啶-2-基)嘧啶(pprd)对配位反应平衡的取代效应,通过多核(^1H, ^13C, 和 ^51V)磁共振、异核单量子相干(HSQC)和变温核磁共振的组合,探索了一系列类似pprd的配体与[OV(O2)2(H2O)]−或[OV(O2)2(HOD)]−或[OV(O2)2(D2O)]−(bpV)在水溶液中的相互作用,水溶液模拟生理条件下的0.15 mol L−1 NaCl D2O溶液。首次报道了直接NMR数据。竞争性配位相互作用导致一系列新的七配位过氧化钒酸盐物种[OV(O2)2LL′]−(LL′=类似pprd的螯合配体)。bpV与类似pprd的配体之间产物的平衡常数表明,配体的相对亲和力为pprd≈2-NH2-pprd>2-Me-pprd>2-Et-pprd>4-(6-甲基吡啶-2-基)嘧啶(简称6′-Me-pprd)。当配体为pprd时,在水溶液中观察到一对异构体(异构体A和B),这归因于金属和配体之间不同的配位模式,而NH4[OV(O2)2(pprd)]·2H2O的晶体结构与异构体A具有相同的配位结构。然而,对于取代的pprd配体,在水溶液中只观察到一种结构(异构体A或B)。这些结果表明,当芳香环有取代基时,空间效应(来自烷基)和氢键(来自胺)都可以影响配位反应平衡,从而阻止异构体B在溶液中出现(对于配体2-Me-pprd, 2-NH2-pprd, 2-Et-pprd)或异构体A在溶液中出现(对于6′-Me-pprd)。
• Synthesis and Anti-Angiogenic Activity of 6-(1,2,4-Thiadiazol-5-yl)-3-amino pyridazine Derivatives
  作者：Jean-Pierre Bongartz、Raymond Stokbroekx、Marcel Van der Aa、Marcel Luyckx、Marc Willems、Marc Ceusters、Lieven Meerpoel、Gerda Smets、Tine Jansen、Walter Wouters、Charlie Bowden、Lisa Valletta、Mark Herb、Rose Tominovich、Robert Tuman

  DOI：10.1016/s0960-894x(01)00805-8

  日期：2002.2

  microvessel growth in vitro in the rat aortic ring assay led to the discovery of a novel series of thiadiazole pyridazine compounds with potential anti-angiogenic activity. Chemical optimization produced orally active compounds with potent in vitro and in vivo anti-angiogenesis and anti-tumor activities.

  在大鼠主动脉环测定中对体外微血管生长抑制剂的常规筛选导致发现了一系列具有潜在抗血管生成活性的新型噻二唑哒嗪化合物。化学优化产生了具有有效的体外和体内抗血管生成和抗肿瘤活性的口服活性化合物。