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1,3,5-tribenzylpyrimidine-2,4,6(1H,3H,5H)-trione

中文名称
——
中文别名
——
英文名称
1,3,5-tribenzylpyrimidine-2,4,6(1H,3H,5H)-trione
英文别名
1,3,5-Tribenzyl-1,3-diazinane-2,4,6-trione
1,3,5-tribenzylpyrimidine-2,4,6(1H,3H,5H)-trione化学式
CAS
——
化学式
C25H22N2O3
mdl
——
分子量
398.461
InChiKey
SFFBIIMMBIRGKT-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    4.2
  • 重原子数:
    30
  • 可旋转键数:
    6
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.16
  • 拓扑面积:
    57.7
  • 氢给体数:
    0
  • 氢受体数:
    3

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为产物:
    描述:
    1,3-二苄基脲乙酸酐溶剂黄146 作用下, 以 乙醇 为溶剂, 反应 2.17h, 生成 1,3,5-tribenzylpyrimidine-2,4,6(1H,3H,5H)-trione
    参考文献:
    名称:
    A Novel Cell-Permeable, Selective, and Noncompetitive Inhibitor of KAT3 Histone Acetyltransferases from a Combined Molecular Pruning/Classical Isosterism Approach
    摘要:
    Selective inhibitors of the two paralogue KAT3 acetyltransferases (CBP and p300) may serve not only as precious chemical tools to investigate the role of these enzymes in physiopathological mechanisms but also as lead structures for the development of further antitumor agents. After the application of a molecular pruning approach to the hardly optimizable and not very cell-permeable garcinol core structure, we prepared many analogues that were screened for their inhibitory effects using biochemical and biophysical (SPR) assays. Further optimization led to the discovery of the benzylidenebarbituric acid derivative 7h (EML425) as a potent and selective reversible inhibitor of CBP/p300, noncompetitive versus both acetyl-CoA and a histone H3 peptide, and endowed with good cell permeability. Furthermore, in human leukemia U937 cells, it induced a marked and time-dependent reduction in the acetylation of lysine H4K5 and H3K9, a marked arrest in the G0/G1 phase and a significant increase in the hypodiploid nuclei percentage.
    DOI:
    10.1021/jm5019687
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文献信息

  • POLARIZING PLATE PROTECTIVE FILM, POLARIZING PLATE, AND DISPLAY DEVICE
    申请人:FUJIFILM Corporation
    公开号:US20170226317A1
    公开(公告)日:2017-08-10
    A polarizing plate protective film which prevents deterioration of polarization performance in a high temperature, high humidity environment, and a polarizing plate and display device using the film including a compound represented by the following General Formula (I). (X-L n z General Formula (I) X represents a formyl group, a boronic acid group, or a group represented by the following General Formula (I-B) or a group represented by the following General Formula (I-C), where L represents a single bond or divalent linking group, and n represents an integer equal to or greater than 2. When n is 2, Z represents a single bond or a divalent group, and when n≧3, Z represents an n-valent group. R A and R B represent an alkyl group, a cycloalkyl group, an aryl group, or an acyl group. R A and R B may be bonded to each other to form a ring. * represents a bond to be bonded to L.
    一种偏光板保护膜,可防止在高温高湿环境中偏光性能的恶化,以及使用包括下述一般式(I)所代表的化合物的偏光板和显示装置。 (X-L n z 一般式(I) X代表甲酰基、硼酸基或由下述一般式(I-B)所代表的基团或由下述一般式(I-C)所代表的基团,其中L代表单键或二价连接基团,n代表大于或等于2的整数。当n为2时,Z代表单键或二价基团,当n≧3时,Z代表n价基团。 RA和RB代表烷基、环烷基、芳基或酰基。RA和RB可以相互连接形成环。*代表要连接到L的键。
  • Iron‐Catalyzed Borrowing Hydrogen <i>C</i> ‐Alkylation of Oxindoles with Alcohols
    作者:Mubarak B. Dambatta、Kurt Polidano、Alexander D. Northey、Jonathan M. J. Williams、Louis C. Morrill
    DOI:10.1002/cssc.201900799
    日期:——
    general and efficient ironcatalyzed C‐alkylation of oxindoles has been developed. This borrowing hydrogen approach employing a (cyclopentadienone)iron carbonyl complex (2 mol %) exhibited a broad reaction scope, allowing benzylic and simple primary and secondary aliphatic alcohols to be employed as alkylating agents. A variety of oxindoles underwent selective mono‐C3‐alkylation in good‐to‐excellent
    已经开发了一种普遍有效的铁催化的吲哚的C烷基化反应。使用(环戊二烯酮)羰基铁络合物(2mol%)的这种借入氢方法表现出广泛的反应范围,允许将苄基和简单的伯和仲脂肪族醇用作烷基化剂。各种羟吲哚以良好的分离效率进行了选择性的单C 3-烷基化反应(28个实例,50-92%的产率,79%的平均产率)。
  • CELLULOSE ACYLATE FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY USING THE SAME
    申请人:FUJIFILM Corporation
    公开号:US20160124123A1
    公开(公告)日:2016-05-05
    A cellulose acylate film, containing at least: a cellulose acylate; and a compound represented by the following Formula (I): wherein R 1 , R 3 and R 5 each independently designate a hydrogen atom, an alkyl group, a cycloalkyl group, an alkenyl group, or an aromatic group, which groups may have a further substituent; with the proviso that at least one of R 1 , R 3 and R 5 is an alkyl group substituted with a group having a ring structure or a cycloalkyl group, and the total number of the ring structures existing in R 1 , R 3 and R 5 is 3 or more.
    一种纤维素酰基膜,至少包含以下成分:纤维素酰基;以及下式(I)所表示的化合物:其中R1、R3和R5各自独立地表示氢原子、烷基、环烷基、烯基或芳基,这些基团可能具有进一步的取代基;但至少其中之一的R1、R3和R5是取代有环结构的烷基或环烷基,且存在于R1、R3和R5中的环结构总数为3个或更多。
  • Hardcoat film, polarizing plate, liquid crystal display, and method for manufacturing hardcoat film
    申请人:FUJIFILM Corporation
    公开号:US10365411B2
    公开(公告)日:2019-07-30
    A hardcoat film including a support and a hardcoat layer, in which the support contains a resin as a main component, a film thickness of the hardcoat layer exceeds 20 μm, the hardcoat layer contains a structure derived from a compound which has one alicyclic epoxy group and one ethylenically unsaturated double bond group and has a molecular weight equal to or less than 300, and a structure derived from a compound which has 3 or more ethylenically unsaturated double bond groups, a radical polymerization initiator and a cationic polymerization initiator.
    一种硬涂层薄膜,包括支撑体和硬涂层,其中支撑体包含作为主要成分的树脂,硬涂层的膜厚超过 20 μm,硬涂层包含一种由具有一个脂环族环氧基团和一个乙烯基不饱和双键基团且分子量等于或小于 300 的化合物衍生的结构,以及一种由具有 3 个或更多乙烯基不饱和双键基团的化合物衍生的结构、一种自由基聚合引发剂和一种阳离子聚合引发剂。
  • Polarizing plate protective film, polarizing plate, and display device
    申请人:FUJIFILM Corporation
    公开号:US10457792B2
    公开(公告)日:2019-10-29
    A polarizing plate protective film which prevents deterioration of polarization performance in a high temperature, high humidity environment, and a polarizing plate and display device using the film including a compound represented by the following General Formula (I). (X-LnZ  General Formula (I) X represents a formyl group, a boronic acid group, or a group represented by the following General Formula (I-B) or a group represented by the following General Formula (I-C), where L represents a single bond or divalent linking group, and n represents an integer equal to or greater than 2. When n is 2, Z represents a single bond or a divalent group, and when n≥3, Z represents an n-valent group. RA and RB represent an alkyl group, a cycloalkyl group, an aryl group, or an acyl group. RA and RB may be bonded to each other to form a ring. * represents a bond to be bonded to L.
    一种可防止偏光性能在高温高湿环境下恶化的偏光板保护膜,以及使用该保护膜的偏光板和显示装置,其中包括由下式(I)表示的化合物。 (X-LnZ 通式 (I) X 代表甲酰基、硼酸基、下式(I-B)代表的基团或下式(I-C)代表的基团,其中 L 代表单键或二价连接基团,n 代表等于或大于 2 的整数,当 n 为 2 时,Z 代表单键或二价基团,当 n≥3 时,Z 代表正价基团。 RA 和 RB 代表烷基、环烷基、芳基或酰基。RA 和 RB 可相互键合形成一个环。* 代表与 L 结合的键。
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