cyclopropylisopropylamine hydrochloride | 246257-63-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: cyclopropylisopropylamine hydrochloride
• 英文别名: Isopropyl-cyclopropyl-amin-hydrochlorid；N-cyclopropyl-N-isopropylamine hydrochloride；N-propan-2-ylcyclopropanamine;hydrochloride
• CAS: 246257-63-6
• 化学式: C₆H₁₃N*ClH
• mdl: MFCD09863848
• 分子量: 135.637
• InChiKey: PUIXXJOADHWACF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.05
• 重原子数：
  8
• 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：
  16.6
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338+P310
• 危险品运输编号：
  1759
• 危险性描述：
  H318
• 包装等级：
  III

反应信息

• 作为反应物：
  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 dicyclopropylisopropylamine radical cation
  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
• 作为产物：
  描述：

  丙酮 、 环丙胺 在 盐酸 、 sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 生成 cyclopropylisopropylamine hydrochloride
  参考文献：
  名称：

  Menin抑制剂及其用途

  摘要：

  本发明提供了一类式I所示的化合物，具有Menin‑MLL蛋白‑蛋白相互作用抑制活性以及细胞增殖抑制活性。本发明还提供了其在治疗癌症和由Menin‑MLL相互作用介导的其它疾病中的用途。

  公开号：

  CN116375707A

文献信息

• NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION
  申请人：DREXEL UNIVERSITY

  公开号：US20160024004A1

  公开（公告）日：2016-01-28

  The present invention provides novel compounds of formula (I) and methods of use thereof. In certain embodiments, the compounds of the invention are useful as nucleocapsid assembly inhibitors. In other embodiments, the compounds of the invention are useful as pregenomic RNA encapsidation inhibitors of Hepatitis B virus (HBV). In yet other embodiments, the compounds of the invention are useful for the treatment of viral infection, including HBV and related viral infections.

  本发明提供了式(I)的新化合物及其使用方法。在某些实施例中，本发明的化合物可用作核衣壳组装抑制剂。在其他实施例中，本发明的化合物可用作乙型肝炎病毒（HBV）的前基因组RNA包装抑制剂。在其他实施例中，本发明的化合物可用于治疗病毒感染，包括HBV和相关病毒感染。
• [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。
• US9938236B2
  申请人：——

  公开号：US9938236B2

  公开（公告）日：2018-04-10
• [EN] NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION<br/>[FR] NOUVEAUX AGENTS ANTIVIRAUX CONTRE UNE INFECTION PAR LE VHB
  申请人：PHILADELPHIA HEALTH & EDUCATIO

  公开号：WO2014106019A2

  公开（公告）日：2014-07-03

  The present invention is directed toward novel compounds and novel methods of use of said compounds of the formula (I), useful as nucleocapsid assembly inhibitors for the treatment of viruses, especially but not exclusively, including pregenomic RNA encapsidation inhibitors of HBV for the treatment of Hepatitis B virus (HBV) infection and related conditions. (Formula (I)) Including hydrates, solvates, pharmaceutically acceptable salts, prodrugs and complexes thereof, wherein A, R1, R2, R3, R4, R5, R6, R7, and R8 are defined herein.