N,N'-1,4-Cyclohexylen-bisacetamid | 35541-71-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N,N'-1,4-Cyclohexylen-bisacetamid
• 英文别名: N,N'-trans-1,4-cyclohexylaminebisacetamide；N,N'-cyclohexane-1,4-diyl-bis-acetamide；1.4-Bis-acetamino-cyclohexan；N,N'-Cyclohexan-1,4-diyl-bis-acetamid；trans-1,4-Diacetamidocyclohexane；N-(4-acetamidocyclohexyl)acetamide
• CAS: 35541-71-0
• 化学式: C₁₀H₁₈N₂O₂
• mdl: MFCD03399675
• 分子量: 198.265
• InChiKey: TVILGUBKPIUIFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N,N'-1,4-Cyclohexylen-bisacetamid 、 碘甲烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-[4-[acetyl(methyl)amino]cyclohexyl]-N-methylacetamide
  参考文献：
  名称：

  Lead optimization of HMBA to develop potent HEXIM1 inducers

  摘要：

  The potency of a series of Hexamethylene bis-acetamide (HMBA) derivatives inducing Hexamethylene bis-acetamide inducible protein 1 (HEXIM1) was determined in LNCaP prostate cancer cells. Several compounds with unsymmetrical structures showed significantly improved activity. Distinct from HMBA, these analogs have increased hydrophobicity and can improve the short half-life of HMBA, which is one of the factors that have limited the application of HMBA in clinics. The unsymmetrical scaffolds of the new analogs provide the basis for further lead optimization of the compounds using combinatorial chemistry strategy. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2014.01.025
• 作为产物：
  描述：

  1,4-环己烷二胺 、 乙酰氯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N,N'-1,4-Cyclohexylen-bisacetamid
  参考文献：
  名称：

  Lead optimization of HMBA to develop potent HEXIM1 inducers

  摘要：

  The potency of a series of Hexamethylene bis-acetamide (HMBA) derivatives inducing Hexamethylene bis-acetamide inducible protein 1 (HEXIM1) was determined in LNCaP prostate cancer cells. Several compounds with unsymmetrical structures showed significantly improved activity. Distinct from HMBA, these analogs have increased hydrophobicity and can improve the short half-life of HMBA, which is one of the factors that have limited the application of HMBA in clinics. The unsymmetrical scaffolds of the new analogs provide the basis for further lead optimization of the compounds using combinatorial chemistry strategy. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2014.01.025

文献信息

• [EN] COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS<br/>[FR] COMPOSÉS DESTINÉS AU TRAITEMENT DE LA MUCOSVISCIDOSE
  申请人：CALIFORNIA INST BIOMEDICAL RES

  公开号：WO2015003083A1

  公开（公告）日：2015-01-08

  Described herein are compounds, compositions, and methods of their use for the treatment of cystic fibrosis.

  本文描述了用于治疗囊性纤维化的化合物、组合物及其使用方法。
• Organic Compounds
  申请人：Collingwood Stephen Paul

  公开号：US20080312217A1

  公开（公告）日：2008-12-18

  A Compound of formula (I) or tautomers, or stereoisomers, or solvates, or pharmaceutically acceptable salts thereof, wherein M 1 , M 1 , L 1 , L 2 , W 1 , W 2 , X 1 , X 2 , Y 1 , Y 2 , A, R 5 , and R 5a are as defined herein for the treatment of conditions mediated by the blockade of an epithelial sodium channel, particularly an inflammatory or allergic condition.

  化合物式（I）或其互变异构体、立体异构体、溶剂化物或药学上可接受的盐，其中M1、M1、L1、L2、W1、W2、X1、X2、Y1、Y2、A、R5和R5a的定义如本文所述，用于治疗由于阻断上皮钠通道介导的情况，特别是炎症或过敏症。
• COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS
  申请人：THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH

  公开号：US20160159754A1

  公开（公告）日：2016-06-09

  Described herein are compounds, compositions, and methods of their use for the treatment of cystic fibrosis.

  本文描述了用于治疗囊性纤维化的化合物、组成物及其使用方法。
• Baeyer; Noyes, Chemische Berichte, 1889, vol. 22, p. 2176
  作者：Baeyer、Noyes

  DOI：——

  日期：——
• Polymeric lanthanide complexes with extended reach bisamide ligands
  作者：David M.L Goodgame、David A Grachvogel、Izhar Hussain、David J Williams

  DOI：10.1016/s0020-1693(99)00568-x

  日期：2000.4

  It is shown by X-ray structural studies that the bisamide ligands N,N'-p-xylylenebisacetamide (PXBA, I), N,N'-trans-1,4-cyclohexylaminebisacetamide (1,CCHBA, II) and N,N'-trans-1,4-cyclohexylaminebis-n-butyramide (1,4-CHBB, III) form polymeric network structures with lanthanide(III) nitrates. In the compound Er-2(PXBA)(3)(NO3)(6) (1) the erbium atoms are nine-coordinate and are linked by PXBA bridges to form sheets of contiguous 78-membered metallacyclic rings. In Ce(1,4-CHBA)(2)(NO3)(3) (2) the cerium atoms are ten-coordinate and the 1,4-CHBA ligands bridge adjacent cerium centres to form sheets of contiguous 44-membered rings with (4,4) topology and with a very compact stacking of the adjacent sheets. In Nd(1,4-CHBB)(2)(NO3)(3) (3) the neodymium atoms are eight-coordinate with the 1,4-CHBB ligands also bridging adjacent neodymium centres to form sheets of contiguous 44-membered rings with (4,4) topology, but with a pronounced 'square-wave' corrugation and crest-in-trough sheet stacking. (C) 2000 Elsevier Science S.A. All rights reserved.