N-异丙基环丙胺 | 73121-94-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-异丙基环丙胺
• 英文名称: cyclopropylisopropylamine
• 英文别名: N-(propan-2-yl)cyclopropanamine；Isopropyl-cyclopropyl-amin；N-propan-2-ylcyclopropanamine
• CAS: 73121-94-5
• 化学式: C₆H₁₃N
• mdl: MFCD09048261
• 分子量: 99.1759
• InChiKey: XWGXFOVSOYMSGT-UHFFFAOYSA-N

物化性质

• 沸点：
  107.9±8.0 °C(Predicted)
• 密度：
  0.84±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-异丙基环丙胺 在 二叔丁基过氧化物 作用下， 以 various solvent(s) 为溶剂， 生成
  参考文献：
  名称：

  Kinetic applications of electron paramagnetic resonance spectroscopy. 35. The search for a dialkylaminyl rearrangement. Ring opening of N-cyclobutyl-N-n-propylaminyl

  摘要：

  DOI：

  10.1021/ja00521a052
• 作为产物：
  描述：

  cyclopropylisopropylamine hydrochloride 在 titanium(IV) isopropylate 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醚 、 氯仿 、 水 为溶剂， 反应 76.0h， 生成 N-异丙基环丙胺
  参考文献：
  名称：

  Radical Cations of Trialkylamines:  ESR Spectra and Structures

  摘要：

  Novel syntheses of cyclopropyldiisopropylamine (15), di-tert-butylcyclopropylamine (16), dicyclopropylisopropylamine (17), and tricyclopropylamine (18) are described. Hyperfine data were determined by ESR spectroscopy for the radical cations of these trialkylamines, as well as for those of ethyldiisopropylamine (10), diisopropyl-n-propylamine (11), dicyclohexylethylamine (12), diisopropyl-3-pentylamine (14), and 1-azabicyclo[3.3.3]undecane (manxine; 27). The radical cation of triisopropylamine (13) was reexamined under conditions of improved spectral resolution. Coupling constants of the N-14 nucleus and the beta-protons in the radical cations of 18 trialkylamines provide reliable information about the geometries of these species, which are confirmed by theoretical calculations. With the exception of a few oligocyclic amines, for which flattening is impaired by the rigid molecular framework, all of the radical cations should be planar. Correlation between the observed coupling constants of the beta-protons and the calculated values of the dihedral angle theta, defining the conformation of the alkyl substituent or the azacycloalkane, is verified. Upon oxidation, striking changes occur for those amines that have cyclopropyl substituents, because of the tendency of these groups to assume a perpendicular conformation in the neutral amines and a bisected orientation in the corresponding radical cations.

  DOI：

  10.1021/jo990458n

文献信息

• [EN] COMBINATIONS COMPRISING BIPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF HCV<br/>[FR] ASSOCIATIONS COMPRENANT DES DÉRIVÉS DE BIPHÉNYLE DESTINÉES À ÊTRE UTILISÉES POUR LE TRAITEMENT DU VIRUS DE L'HÉPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015009744A1

  公开（公告）日：2015-01-22

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制由丙型肝炎病毒（HCV）编码的NS5A蛋白质的功能的化合物组合、包含这样的组合物的组合物以及抑制NS5A蛋白质功能的方法。
• [EN] INHIBITORS OF THE MENIN-MLL INTERACTION<br/>[FR] INHIBITEURS DE L'INTERACTION MÉNINE-MLL
  申请人：SYNDAX PHARMACEUTICALS INC

  公开号：WO2022241265A1

  公开（公告）日：2022-11-17

  The present disclosure is directed to inhibitors of Formula (0), or a stereoisomer thereof, or pharmaceutically acceptable salt thereof, of the interaction of menin with MLL and MLL fusion proteins, pharmaceutical compositions containing the same, and their use in the treatment of cancer and other diseases mediated by the menin-MLL interaction.

  本公开涉及公式（0）的抑制剂，或其立体异构体或其药学上可接受的盐，用于抑制Menin与MLL和MLL融合蛋白的相互作用，以及含有它们的制药组合物，并将其用于治疗由Menin-MLL相互作用介导的癌症和其他疾病。
• Discovery of potent sulfonamide P4-capped ketoamide second generation inhibitors of hepatitis C virus NS3 serine protease with favorable pharmacokinetic profiles in preclinical species
  作者：Stéphane L. Bogen、Ashok Arasappan、Francisco Velazquez、Melissa Blackman、Regina Huelgas、Weidong Pan、Elise Siegel、Latha G. Nair、Srikanth Venkatraman、Zhuyan Guo、Ronald Doll、Neng-Yang Shih、F. George Njoroge

  DOI：10.1016/j.bmc.2010.01.044

  日期：2010.3

  Hepatitis is a disease characterized by inflammation of the liver, usually producing swelling and, in many cases, permanent damage to liver tissues. Viral hepatitis C (HCV), a small (+)-RNA virus, infects chronically 3% of the world's population. Boceprevir, SCH 503034, (1) our first generation HCV inhibitor, has already established proof-of-concept and is currently in late stage (phase III) clinical trials. In view of the positive data from our first generation compound, further work aimed at optimizing its overall profile was undertaken. Herein, we report that extension of our earlier inhibitor to the P-4 pocket by introducing a new sulfonamide moiety and optimization of the P1/P-1' capping led to the discovery of a novel series of inhibitors of the HCV NS3 serine protease. Optimization of the P-1 residue significantly improved potency and selectivity. The combination of optimal moieties led to the discovery of compound 47 which, in addition to being a potent inhibitor of HCV subgenomic RNA replication, was also found to have good PK profile in rat, dog and monkey. (C) 2010 Elsevier Ltd. All rights reserved.
• Solid-phase synthesis of 2,3,5-trisubstituted 4H-imidazolones
  作者：Udo E.W Lange

  DOI：10.1016/s0040-4039(02)01400-4

  日期：2002.9

  The first solid-phase synthesis of 2,3,5-trisubstituted 4H-imidazolones suitable for automation using the dehydration of a urea as the key-step is described. The novel method is compared with other reported procedures. Furthermore, the formation of imidazolone diastereoisomers containing a chiral C,N-axis is discussed. (C) 2002 Elsevier Science Ltd. All rights reserved.
• TW2023/25706
  申请人：——

  公开号：——

  公开（公告）日：——