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N,N'-Bis-(4-diphenylamino-benzyl)-butane-1,4-diamine

中文名称
——
中文别名
——
英文名称
N,N'-Bis-(4-diphenylamino-benzyl)-butane-1,4-diamine
英文别名
N,N'-bis[[4-(N-phenylanilino)phenyl]methyl]butane-1,4-diamine
N,N'-Bis-(4-diphenylamino-benzyl)-butane-1,4-diamine化学式
CAS
——
化学式
C42H42N4
mdl
——
分子量
602.822
InChiKey
AOXYPJCPQVRSPI-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):
    9.5
  • 重原子数:
    46
  • 可旋转键数:
    15
  • 环数:
    6.0
  • sp3杂化的碳原子比例:
    0.14
  • 拓扑面积:
    30.5
  • 氢给体数:
    2
  • 氢受体数:
    4

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:
    4-二苯胺基苯甲醛 在 sodium tetrahydroborate 、 magnesium sulfate 、 三乙胺 作用下, 以 甲醇二氯甲烷 为溶剂, 反应 22.0h, 生成 N,N'-Bis-(4-diphenylamino-benzyl)-butane-1,4-diamine
    参考文献:
    名称:
    Induction of apoptosis by aryl-substituted diamines: role of aromatic group substituents and distance between nitrogens
    摘要:
    A series of aromatic substituted diamines was synthesized and characterized for their cytotoxic profiles against human breast and prostate tumor cell lines. Following a structure function analysis of the effects of changes of the benzyl substituents and the distance between amino groups the most potent analogues were analyzed biologically and were shown to induce apoptosis. These compounds do not induce the enzyme SSAT or deplete intracellular polyamine levels, mechanisms demonstrated by other cytotoxic polyamine analogues. (C) 2002 Elsevier Science Ltd. All rights reserved.
    DOI:
    10.1016/s0960-894x(02)00156-7
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文献信息

  • [EN] COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS<br/>[FR] COMPOSITIONS ET MÉTHODES POUR LE TRAITEMENT DE MALADIES ET D'ÉTATS PATHOLOGIQUES
    申请人:UNIV PITTSBURGH
    公开号:WO2016094659A1
    公开(公告)日:2016-06-16
    A compound of Formula II, or a salt, ester, solvate, hydrate or prodrug thereof: where: X1 is a branched or unbranched C1-10 alkyl, (CH2)s-NH-(CH2)t, (CH2)s-0-(CH2)t, or (CH2)S-C(NH2)- (CH2)v-NH-(CH2)t,where s, t and v are each, independently an integer from 1 to 5; A and B are each, independently, C6-10 aryl, C6-10aryl-C1-6alkyl, C3-9 heteroaryl, or C3-9heteroaryl-C1- 6alkyl, each optionally substituted with 1, 2 or 3 independently selected Rg groups; C and D are each, independently, C3-7 cycloalkyl, C3-7 cycloalkyl-C1-6alkyl, C3-7 heterocycloalkyl, C3-7 heterocycloalkyl-C1-6 alkyl, C6-10aryl, C6-10aryl-C1-6alkyl, C3-9 heteroaryl, or C3-9heteroaryl-C1-6alkyl, each optionally substituted with 1, 2 or 3 independently selected Rg groups; each Rg is, independently, halogen, C1-6 alkyl, C1-6 haloalkyl, hydroxyl, C1-6 alkoxy, C1-6 haloalkoxy, amino, C1-6alkylamino, or di-C1-6alkylamino; and n1 and p1 are each, independently, integers from 1 to 10.
    Formula II的化合物,或其盐、酯、溶剂合物、水合物或前药:其中:X1是支链或非支链的C1-10烷基,(CH2)s-NH-(CH2)t,(CH2)s-0-(CH2)t,或(CH2)S-C(NH2)-(CH2)v-NH-(CH2)t,其中s、t和v分别是1到5之间的整数;A和B分别是独立的C6-10芳基、C6-10芳基-C1-6烷基、C3-9杂芳基或C3-9杂芳基-C1-6烷基,每个都可以选择性地用1、2或3个独立选择的Rg基团取代;C和D分别是独立的C3-7环烷基、C3-7环烷基-C1-6烷基、C3-7杂环烷基、C3-7杂环烷基-C1-6烷基、C6-10芳基、C6-10芳基-C1-6烷基、C3-9杂芳基或C3-9杂芳基-C1-6烷基,每个都可以选择性地用1、2或3个独立选择的Rg基团取代;每个Rg是独立的卤素、C1-6烷基、C1-6卤代烷基、羟基、C1-6烷氧基、C1-6卤代烷氧基、氨基、C1-6烷基氨基或二C1-6烷基氨基;n1和p1分别是独立的1到10之间的整数。
  • Compositions and methods for treating diseases and conditions
    申请人:University of Pittsburgh—Of the Commonwealth System of Higher Education
    公开号:US10487076B2
    公开(公告)日:2019-11-26
    A compound of Formula II, or a salt, ester, solvate, hydrate or prodrug thereof: where: X1 is a branched or unbranched C1-10 alkyl, (CH2)s—NH—(CH2)t, (CH2)s—O—(CH2)t, or (CH2)s—C(NH2)—(CH2)v—NH—(CH2)t, where s, t and v are each, independently an integer from 1 to 5; A and B are each, independently, C6-10aryl, C6-10aryl-C1-6alkyl, C3-9 heteroaryl, or C3-9heteroaryl-C1-6alkyl, each optionally substituted with 1, 2 or 3 independently selected Rg groups; C and D are each, independently, C3-7 cycloalkyl, C3-7 cycloalkyl-C1-6alkyl, C3-7 heterocycloalkyl, C3-7 heterocycloalkyl-C1-6 alkyl, C6-10aryl, C6-10aryl-C1-6alkyl, C3-9 heteroaryl, or C3-9heteroaryl-C1-6alkyl, each optionally substituted with 1, 2 or 3 independently selected Rg groups; each Rg is, independently, halogen, C1-6 alkyl, C1-6 haloalkyl, hydroxyl, C1-6 alkoxy, C1-6 haloalkoxy, amino, C1-6 alkylamino, or di-C1-6alkylamino; and n1 and p1 are each, independently, integers from 1 to 10.
    式 II 的化合物或其盐、酯、溶液、水合物或原药: 其中 X1 是支链或未支链的 C1-10 烷基、(CH2)s-NH-(CH2)t、(CH2)s-O-(CH2)t 或 (CH2)s-C(NH2)-(CH2)v-NH-(CH2)t ,其中 s、t 和 v 各自独立地为 1 至 5 的整数; A 和 B 各自独立为 C6-10 芳基、C6-10 芳基-C1-6烷基、C3-9 杂芳基或 C3-9 杂芳基-C1-6烷基,各自任选被 1、2 或 3 个独立选择的 Rg 基团取代; C 和 D 各自独立为 C3-7 环烷基、C3-7 环烷基-C1-6烷基、C3-7 杂环烷基、C3-7 杂环烷基-C1-6烷基、C6-10 芳基、C6-10 芳基-C1-6烷基、C3-9 杂芳基或 C3-9 异芳基-C1-6烷基,各自任选被 1、2 或 3 个独立选择的 Rg 基团取代; 每个 Rg 独立地是卤素、C1-6 烷基、C1-6 卤代烷基、羟基、C1-6 烷氧基、C1-6 卤代烷氧基、氨基、C1-6 烷基氨基或二-C1-6 烷基氨基;以及 n1 和 p1 各自独立地为 1 至 10 的整数。
  • COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS
    申请人:University of Pittsburgh - Of the Commonwealth System of Higher Education
    公开号:EP3230254B1
    公开(公告)日:2021-09-22
  • Induction of apoptosis by aryl-substituted diamines: role of aromatic group substituents and distance between nitrogens
    作者:Mark R Burns、Solveig LaTurner、Josh Ziemer、Maralee McVean、Bruce Devens、C.Lance Carlson、Gerard F Graminski、Scott M Vanderwerf、Reitha S Weeks、Jay Carreon
    DOI:10.1016/s0960-894x(02)00156-7
    日期:2002.5
    A series of aromatic substituted diamines was synthesized and characterized for their cytotoxic profiles against human breast and prostate tumor cell lines. Following a structure function analysis of the effects of changes of the benzyl substituents and the distance between amino groups the most potent analogues were analyzed biologically and were shown to induce apoptosis. These compounds do not induce the enzyme SSAT or deplete intracellular polyamine levels, mechanisms demonstrated by other cytotoxic polyamine analogues. (C) 2002 Elsevier Science Ltd. All rights reserved.
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