2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide | 1223044-62-9

• 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: 2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide
• CAS: 1223044-62-9
• 化学式: C₃₁H₄₆N₂O₄S₂
• 分子量: 574.849
• InChiKey: FCEQYOGKLQPPTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide 、 N-<3-(4-methylbenzenesulfonoxy)propyl>naphthalimide 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以92.2%的产率得到
  参考文献：
  名称：

  新型双萘二甲酰亚胺基丙基（BNIPs）衍生物作为靶向人类乳腺癌细胞DNA的抗癌化合物†

  摘要：

  双萘二甲酰亚胺丙基（BNIP）衍生物是一类在体外发挥抗癌活性的化合物，根据以前的研究，接头序列的变化增加了其DNA结合和细胞毒性活性。通过修改双萘二甲酰亚胺丙基二氨基二环己基甲烷（BNIPDaCHM），一种先前合成的具有抗癌特性的BNIP衍生物的接头序列，设计了三种新型的BNIP衍生物。Bisnaphthalimidopropyl-piperidylpropane（BNIPPiProp），BNIPDaCHM的结构异构体，bisnaphthalimidopropyl ethylenedipiperidine二氢溴酸盐（BNIPPiEth），BNIPDaCHM的用较短的连接基团链，和（同种型反式（反式）） -二氨基bisnaphthalimidopropyl（反式，反式-BNIPDaCHM）是BNIPDaCHM的立体异构体，已成功合成（收率72.3–29.5％），并通过核磁共振波谱（NMR）和

  DOI：

  10.1039/c6ob01850e
• 作为产物：
  描述：

  2,4,6-三甲基苯磺酰氯 、 4,4'-二氨基二环己基甲烷 在 吡啶 作用下， 以43.3%的产率得到2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide
  参考文献：
  名称：

  新型双萘二甲酰亚胺基丙基（BNIPs）衍生物作为靶向人类乳腺癌细胞DNA的抗癌化合物†

  摘要：

  双萘二甲酰亚胺丙基（BNIP）衍生物是一类在体外发挥抗癌活性的化合物，根据以前的研究，接头序列的变化增加了其DNA结合和细胞毒性活性。通过修改双萘二甲酰亚胺丙基二氨基二环己基甲烷（BNIPDaCHM），一种先前合成的具有抗癌特性的BNIP衍生物的接头序列，设计了三种新型的BNIP衍生物。Bisnaphthalimidopropyl-piperidylpropane（BNIPPiProp），BNIPDaCHM的结构异构体，bisnaphthalimidopropyl ethylenedipiperidine二氢溴酸盐（BNIPPiEth），BNIPDaCHM的用较短的连接基团链，和（同种型反式（反式）） -二氨基bisnaphthalimidopropyl（反式，反式-BNIPDaCHM）是BNIPDaCHM的立体异构体，已成功合成（收率72.3–29.5％），并通过核磁共振波谱（NMR）和

  DOI：

  10.1039/c6ob01850e

文献信息

• Cellulose Compound Film, Optical Compensation Sheet, Polarizing Plate, and Liquid Crystal Display Device
  申请人：Nozoe Yutaka

  公开号：US20070259134A1

  公开（公告）日：2007-11-08

  A cellulose compound film containing a cellulose compound having two or more substituents whose polarizability anisotropies Δα calculated by mathematical formula (1) are different from each other, wherein substitution degrees of the following substituents A and B in the cellulose compound satisfy relationship as defined by mathematical formula (A1), in which the substituent A has the lowest Δα and the substituent B has the highest Δα: Δ ⁢ ⁢ α = α ⁢ ⁢ x - α ⁢ ⁢ y + α ⁢ ⁢ z 2 Mathematical ⁢ ⁢ formula ⁢ ⁢ ( 1 ) wherein, in characteristic values obtained after diagonalization of polarizability tensor, αx is the largest component, αy is the second largest component, and αz is the smallest component; DS B 2+ DS B 3− DS B 6≧−0.1   Mathematical formula (A1) wherein DS B 2, DS B 3, and DS B 6 represent a substitution degree of the substituent B at the 2-, 3-, or 6-position of a β-glucose ring constituting unit of cellulose, respectively; and an optical compensation film, a polarizing plate, and a liquid crystal display device, using the cellulose compound film.

  一种纤维素化合物薄膜，其含有具有两个或更多取代基的纤维素化合物，其极化率各向异性Δα通过数学公式（1）计算得出，其中以下取代基A和B的取代度满足数学公式（A1）所定义的关系，其中取代基A具有最低的Δα，而取代基B具有最高的Δα：Δα = αx-αy + αz2数学公式（1）其中，在极化率张量对角化后获得的特征值中，αx是最大分量，αy是第二大分量，αz是最小分量;DSB2 + DSB3-DSB6≥-0.1数学公式（A1）其中DSB2、DSB3和DSB6分别表示取代基B在纤维素构成单位β-葡萄糖环的2-、3-或6-位置的取代度;以及使用该纤维素化合物薄膜的光学补偿膜、偏光板和液晶显示装置。
• Cellulose Acylate Film, Method of Producing the Same, Cellulose Derivative Film, Optically Compensatory Film Using the Same, Optically-Compensatory Film Incorporating Polarizing Plate, Polarizing Plate and Liquid Crystal Display Device
  申请人：Haruta Hiromoto

  公开号：US20090290100A1

  公开（公告）日：2009-11-26

  A method of producing a cellulose derivative film, the method comprising: forming a film with a solvent cast method from a dope including a cellulose derivative satisfying following conditions (a) and (b): (a) at least one among three hydroxyl groups included in a glucose unit of cellulose is substituted by a substituent of which a polarizability anisotropy Δα represented as following Expression (1) is 2.5×10 −24 cm 3 or higher: Expression (1): Δα=αx−(αy+αz)/2, wherein αx, αy and αz is as defined in the specification; and (b) when a substitution degree by a substituent of which Δα is 2.5×10 −24 cm 3 or higher is P A , and a substitution degree by a substituent of which Δα is lower than 2.5×10 −24 cm 3 is P B , the P A and P B satisfy following Expressions (3) and (4): Expression (3): 2P A +P B >3.0; and Expression (4): P A >0.2.

  一种生产纤维素衍生物薄膜的方法，该方法包括：使用包括满足以下条件（a）和（b）的纤维素衍生物的溶胶，通过溶剂浇铸法形成薄膜：（a）纤维素的葡萄糖单元中的三个羟基中的至少一个被取代为极化率各向异性Δα（以下表达式（1）表示）为2.5×10-24cm3或更高的取代基：表达式（1）：Δα=αx-（αy+αz）/ 2，其中αx，αy和αz如规范中定义的；并且（b）当Δα为2.5×10-24cm3或更高的取代基的取代度为PA时，Δα低于2.5×10-24cm3的取代基的取代度为PB，PA和PB满足以下表达式（3）和（4）：表达式（3）：2PA + PB> 3.0；表达式（4）：PA> 0.2。
• Synthesis, cytotoxicity and DNA-binding of novel bisnaphthalimidopropyl derivatives in breast cancer MDA-MB-231 cells
  作者：Gemma A. Barron、Giovanna Bermano、Amanda Gordon、Paul Kong Thoo Lin

  DOI：10.1016/j.ejmech.2009.12.047

  日期：2010.4

  New naphthalimidopropyl, bisphthalimidopropyl and bisnaphthalimidopropyl (BNIP) derivatives were synthesised and characterised. Their interactions with Calf Thymus DNA were studied by UV spectrophotometric analysis and a competitive Ethidium bromide displacement assay. Cytotoxicity was determined by MTT assay in a breast cell system (MDA-MB-231 and MCF-10A cells). All BNIPs exhibited strong DNA-binding properties and cytotoxic activity with IC(50) values in the range of 0.83-12.68 mu M (24 and 48 h treatment). In addition, the uptake of BNIP derivatives within cancer cells was not via utilisation of the MGBG polyamine transporter. Put together the results confirm that the presence of the bisnaphthalimidopropyl and alkyl linker functionality are crucial for exerting DNA-binding and cytotoxic properties, hence demonstrating promise in their further development as potential anti cancer agents. (C) 2009 Elsevier Masson SAS. All rights reserved.
• Cellulose Acylate Film, and Polarizing Plate and Liquid-Crystal Display Device Using the Same
  申请人：Sakurazawa Mamoru

  公开号：US20080173215A1

  公开（公告）日：2008-07-24

  A cellulose acylate film comprising: at least one retardation regulator; and at least one UV absorber having at least one absorption maximum in a wavelength range of from 250 nm to 380 nm.
• Cellulose Acylate Film, and Polarizing Plate and Liquid Crystal Display Device Using the Same
  申请人：Sakurazawa Mamoru

  公开号：US20090103014A1

  公开（公告）日：2009-04-23

  A cellulose acylate film comprising: (A) at least one retardation regulator that has an absorbance, in terms of a 1.0 g/liter solution, of 0.1 or less for a 1 cm path length within a wavelength region of 450 nm or greater but not greater than 800 nm; and (B) at least one near infrared absorber that has at least one maximum absorption wavelength at 700 nm or greater but not greater than 1200 nm and has an absorbance, in terms of a 1.0 g/liter solution, of 30.0 or less for a 1 cm path length within a wavelength region of 450 nm or greater but not greater than 650 nm.