N-羟基-3-氧-3-吡咯啉-2-基丙脒 | 479080-07-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: N-羟基-3-氧-3-吡咯啉-2-基丙脒
• 英文名称: 2-(pyrrolidin-1-ylcarbonyl)acetamidoxime
• 英文别名: N'-hydroxy-3-oxo-3-pyrrolidin-1-ylpropanimidamide
• CAS: 479080-07-4；57399-51-6
• 化学式: C₇H₁₃N₃O₂
• mdl: MFCD00119048
• 分子量: 171.199
• InChiKey: ISUFAXRPGSQHIC-UHFFFAOYSA-N

物化性质

• 沸点：
  353.2±44.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  78.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-羟基-3-氧-3-吡咯啉-2-基丙脒 在 三乙胺 作用下， 以 异丙醇 、 甲苯 为溶剂， 反应 124.0h， 生成 2-(N-acetylamino)-5-methylpyrrole-3-carboxylic acid pyrrolidide
  参考文献：
  名称：

  α-（氨基羰基）-乙酰氨基肟与酰基乙炔的加合物重排，生成2-氨基吡咯衍生物*

  摘要：

  α-（氨基羰基）-乙酰氨基肟与乙炔酮的加合物O-乙烯基酰胺基肟的重排和环化反应生成了2-酰基氨基吡咯。

  DOI：

  10.1007/s10593-012-1069-0

文献信息

• 2-Trifluoroacetylthiophene oxadiazoles as potent and selective class II human histone deacetylase inhibitors
  作者：Ester Muraglia、Sergio Altamura、Danila Branca、Ottavia Cecchetti、Federica Ferrigno、Maria Vittoria Orsale、Maria Cecilia Palumbi、Michael Rowley、Rita Scarpelli、Christian Steinkühler、Philip Jones

  DOI：10.1016/j.bmcl.2008.09.076

  日期：2008.12

  class II HDAC inhibitors, with moderate selectivity. Exploration of replacements for the carboxamide with bioisosteric pentatomic heteroaromatic like 1,3,4-oxadiazoles, 1,2,4-oxadiazoles and 1,3-thiazoles, led to the discovery that 2-trifluoroacetylthiophene 1,3,4-oxadiazole derivatives are very potent low nanomolar HDAC4 inhibitors, highly selective over class I HDACs (HDAC 1 and 3), and moderately

  最近已经报道三氟乙酰基噻吩羧酰胺是II类HDAC抑制剂，具有中等选择性。探索用生物等位五原子杂芳族化合物（如1,3,4-恶二唑，1,2,4-恶二唑和1,3-噻唑）替代羧酰胺，导致发现2-三氟乙酰基噻吩1,3,4-恶二唑衍生物是非常有效的低纳摩尔HDAC4抑制剂，对I类HDAC（HDAC 1和3）具有高度选择性，并且在HCT116细胞培养中具有中等稳定性。
• Procollagen C-proteinase inhibitors
  申请人：——

  公开号：US20010021718A1

  公开（公告）日：2001-09-13

  1 and their salts, solvates, prodrugs, etc., wherein the substituents have the values mentioned herein, are Procollagen C-Proteinase (PCP) inhibitors and have utility in conditions mediated by PCP.

  它们及其盐、溶剂合物、前药等，其中取代基具有此处提及的值，是Procollagen C-蛋白酶（PCP）抑制剂，并在由PCP介导的疾病中具有用途。
• [EN] OX(ADI)AZOLYL-HYDROXAMIC ACIDS USEFUL AS PROCOLLAGEN C-PROTEINASE INHIBITORS<br/>[FR] ACIDES OX(ADI)AZOLYL-HYDROXAMIQUES UTILISES COMME INHIBITEURS DE LA PROCOLLAGENE C-PROTEINASE
  申请人：PFIZER LTD

  公开号：WO2001047901A1

  公开（公告）日：2001-07-05

  Compounds of formula (I) and their salts, solvates, prodrugs, etc., wherein the substituents have the values mentioned herein, are Procollagen C-Proteinase (PCP) inhibitors and have utility in conditions mediated by PCP.

  式(I)化合物及其盐、溶剂化物、前药等，其中取代基具有此处提及的值，是前胶原C-蛋白酶（PCP）抑制剂，在由PCP介导的疾病中具有应用价值。
• Pyrrolidine oxadiazole-and thiadiazole derivatives
  申请人：——

  公开号：US20040220238A1

  公开（公告）日：2004-11-04

  The present invention is related to pyrrolidine oxadiazole and thiadiazole derivatives for use as pharmaceutically active compounds, as well as pharmaceutical formulations containing such pyrrolidine oxadiazole derivatives. Said pyrrolidine derivatives are useful in the treatment and/or prevention of preterm labor, premature birth and dysmenorrhea. In particular, the present invention is related to pyrrolidine derivatives displaying a substantial modulatory, notably an antagonist activity of the oxytocin receptor. More preferably, said compounds are useful in the treatment and/or prevention of disease states mediated by oxytocin, including preterm labor, premature birth and dysmenorrhea. The present invention is furthermore related to novel pyrrolidine derivatives as well as to methods of their preparation. (I) B is a oxadiazole or thiadiazole group. 1

  本发明涉及吡咯烷氧二唑和噻二唑衍生物，用作药物活性化合物，以及含有此类吡咯烷氧二唑衍生物的制药配方。所述吡咯烷衍生物在治疗和/或预防早产、早产和痛经方面具有用途。特别地，本发明涉及显示出显著调节活性，特别是催产素受体拮抗剂活性的吡咯烷衍生物。更具体地，这些化合物在治疗和/或预防由催产素介导的疾病状态方面具有用途，包括早产、早产和痛经。本发明还涉及新型吡咯烷衍生物及其制备方法。(I) B是氧代二唑或噻二唑基团。
• 3-Heterocyclylpropanohydroxamic acids
  申请人：——

  公开号：US20030119807A1

  公开（公告）日：2003-06-26

  Compound of formula (I): 1 and their salts, solvates, prodrugs, etc., wherein the substituents have the values mentioned herein, are Procollagen C-Proteinase (PCP) inhibitors and have utility in conditions mediated by PCP.

  化合物公式(I)的化合物及其盐、溶剂合物、前药等，在所述取代基具有所述数值的情况下，是前胶原C-蛋白酶（PCP）抑制剂，并在由PCP介导的疾病中具有应用价值。