N,N'-bis-(3,5-dichlorophenyl)isophthalamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N'-bis-(3,5-dichlorophenyl)isophthalamide
• 英文别名: N,N'-Bis-(3,5-dichloro-phenyl)-isophthalamide；1-N,3-N-bis(3,5-dichlorophenyl)benzene-1,3-dicarboxamide
• 化学式: C₂₀H₁₂Cl₄N₂O₂
• mdl: MFCD00784194
• 分子量: 454.139
• InChiKey: UPBFUDCJFNEIGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  间苯二甲酰氯 在 三乙胺 3,5-二氯苯胺 作用下， 以 二氯甲烷 为溶剂， 生成 N,N'-bis-(3,5-dichlorophenyl)isophthalamide
  参考文献：
  名称：

  Non-peptidic cyclophilin binding compounds and their use

  摘要：

  这项发明涉及具有生物活性特性的非肽化合物，例如具有保护神经细胞免受致命处理的能力或促进神经细胞生长或再生的能力。在某种程度上，该发明提供与环肽酶相互作用或结合的化合物以及对神经细胞具有活性的化合物。具体包括使用这些化合物的方法，例如将它们用于细胞或动物，或者用于治疗神经退行性疾病。

  公开号：

  US20030232815A1

文献信息

• NADP-dependent glutamate dehydrogenases in a dimorphic zygomycete Benjaminiella poitrasii: Purification, characterization and their evaluation as an antifungal drug target
  作者：Ejaj K. Pathan、Anand M. Kulkarni、Nallaballe V.L. Prasanna、Chepuri V. Ramana、Mukund V. Deshpande

  DOI：10.1016/j.bbagen.2020.129696

  日期：2020.11

  characterized. The structural analogs of L-glutamate, dimethyl esters of isophthalic acid (DMIP) and its derivatives were designed, synthesized and screened for inhibition of NADP-GDH activity as well as YH transition in B. poitrasii, and also in human pathogenic Candida albicans strains. Results The BpNADPGDH I and BpNADPGDH II were found to be homo-hexameric proteins with native molecular mass of 282 kDa

  背景 据报道，编码NADP依赖性谷氨酸脱氢酶（NADP-GDHs ）的基因在酵母菌Benjaminiella poitrasii中显示出与酵母-菌丝（Y H）可逆转变的因果关系。由于Y H过渡对于人类病原性真菌在宿主中的存活和增殖具有重要意义，因此可以将NADP-GDHs用作抗真菌药物的靶标。 方法 通过在大肠杆菌BL-21细胞中的异源表达，纯化了芽孢杆菌的酵母形式特异性BpNADPGDH I和菌丝形式特异性BpNADPGDH II并进行了表征。设计，合成和筛选了L-谷氨酸，间苯二甲酸二甲酯（DMIP）及其衍生物的结构类似物，以抑制NADP-GDH活性以及Poitrasii以及人致病性白色念珠菌中的Y H转变。株。 结果 发现BpNADPGDH I和BpNADPGDH II是天然分子量分别为282 kDa和298 kDa，亚基分子量分别为47 kDa和49 kDa的同六聚体蛋白。除了独特的动力学特性外，还发现BpNADPGDH
• Cytotoxic small molecule dimers and their inhibitory activity against human breast cancer cells
  作者：M. Kyle Hadden、Brian S.J. Blagg

  DOI：10.1016/j.bmcl.2007.07.014

  日期：2007.9

  Small molecules based upon natural product dimers that exhibit cytotoxic activity were synthesized and evaluated for their anti-proliferative activity in human breast cancer cell lines. A central isophthalic core structure linking aromatic amines containing 3,5-disubstitutions produced the most active compounds. This series of compounds was found to be more active against the estrogen receptor positive cell line MCF-7 than the estrogen receptor negative cell line, SKBr3. (C)2007 Elsevier Ltd. All rights reserved.
• Syntheses of amide based anion receptors and investigation of their associations with anions and their molecular structures using proton NMR titration and DFT methods
  作者：Korakot Navakhun、Ranu Sawangsri、Vithaya Ruangpornvisuti

  DOI：10.1016/j.molstruc.2013.12.060

  日期：2014.3

  The synthesized disubstituted isophthalamide and pyridine-2,6dicarboxamide derivatives of nine compounds were prepared. Their association constants with tetrabutylammonium fluoride (TBA center dot F), tetrabutylammonium chloride (TBA center dot Cl), tetrabutylammonium bromide (TBA center dot Br), tetrabutylammonium dihydrogenphosphate (TBA center dot H2PO4), tetrabutylammonium hydrogensulphate (TBA center dot HSO4) and tetrabutylammonium nitrate (TBA center dot NO3) were obtained by H-1 NMR titration technique. The optimized structures of compounds 1-9 and their association with F-, Cl-, Br-, H2PO4-, HSO4- and NO3- were obtained using the B3LYP/6-31+G(d) method. The most favorable complex of compound 3 with Br- was found. The high association constants of complexes 1-6 with F- are expected. Associations of all receptors with anions are exothermic and spontaneous reactions. Thermodynamic properties of all associations obtained using B3LYP/6-31+G(d) method are reported. (C) 2013 Elsevier B.V. All rights reserved.