摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

N1-(tert-butyl)-5-thiomorpholinobenzene-1,2,4-triamine | 1465826-24-7

中文名称
——
中文别名
——
英文名称
N1-(tert-butyl)-5-thiomorpholinobenzene-1,2,4-triamine
英文别名
——
N1-(tert-butyl)-5-thiomorpholinobenzene-1,2,4-triamine化学式
CAS
1465826-24-7
化学式
C14H24N4S
mdl
——
分子量
280.437
InChiKey
FNFBVVUTPMPAAP-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):
    2.61
  • 重原子数:
    19.0
  • 可旋转键数:
    2.0
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.57
  • 拓扑面积:
    67.31
  • 氢给体数:
    3.0
  • 氢受体数:
    5.0

反应信息

  • 作为反应物:
    参考文献:
    名称:
    Benzimidazole-based compounds kill Mycobacterium tuberculosis
    摘要:
    Tuberculosis remains one of the deadliest infectious diseases, killing 1.4 million people annually and showing a rapid increase in cases resistant to multiple drugs. New antibiotics against tuberculosis are urgently needed. Here we describe the design, synthesis and structure activity relationships of a series of benzimidazole-based compounds with activity against Mycobacterium tuberculosis (Mtb) in a replicating state, a physiologically-induced non-replicating state, or both. Compounds 49, 67, 68, 69, 70, and 72, which shared a 5-nitrofuranyl moiety, exhibited high potency and acceptable selectivity indices (SI). As illustrated by compound 70 (MIC90 < 0.049 mu g/mL, SI > 512), the 5-nitrofuranyl group was compatible with minimal cytotoxicity and good intra-macrophage killing, although it lacked non-replicating activity when assessed by CFU assays. Compound 70 had low mutagenic potential by SOS Chromotest assay, making this class of compounds good candidates for further evaluation and target identification. (C) 2014 Elsevier Masson SAS. All rights reserved.
    DOI:
    10.1016/j.ejmech.2014.01.039
  • 作为产物:
    描述:
    在 sodium dithionite 、 potassium carbonate 作用下, 以 四氢呋喃乙醇 为溶剂, 反应 2.0h, 生成 N1-(tert-butyl)-5-thiomorpholinobenzene-1,2,4-triamine
    参考文献:
    名称:
    Benzimidazole-based compounds kill Mycobacterium tuberculosis
    摘要:
    Tuberculosis remains one of the deadliest infectious diseases, killing 1.4 million people annually and showing a rapid increase in cases resistant to multiple drugs. New antibiotics against tuberculosis are urgently needed. Here we describe the design, synthesis and structure activity relationships of a series of benzimidazole-based compounds with activity against Mycobacterium tuberculosis (Mtb) in a replicating state, a physiologically-induced non-replicating state, or both. Compounds 49, 67, 68, 69, 70, and 72, which shared a 5-nitrofuranyl moiety, exhibited high potency and acceptable selectivity indices (SI). As illustrated by compound 70 (MIC90 < 0.049 mu g/mL, SI > 512), the 5-nitrofuranyl group was compatible with minimal cytotoxicity and good intra-macrophage killing, although it lacked non-replicating activity when assessed by CFU assays. Compound 70 had low mutagenic potential by SOS Chromotest assay, making this class of compounds good candidates for further evaluation and target identification. (C) 2014 Elsevier Masson SAS. All rights reserved.
    DOI:
    10.1016/j.ejmech.2014.01.039
点击查看最新优质反应信息

同类化合物

(3S,5S,6S)-安非他酮杂质 (3S,5R,6R)-安非他酮杂质 苯西酮 苯甲酸,4-(4-硫代吗啉基)- 硫代吗啉酮 硫代吗啉盐酸盐 硫代吗啉-4-醇1,1-二氧化物 硫代吗啉-4-甲酰氯-1,1-二氧化物 硫代吗啉-3-基甲醇 硫代吗啉-2-甲酸乙酯 硫代吗啉-1-鎓-1-醇 硫代吗啉-1,1-二氧化物 硫代吗啉,4-[4-[[2-(2,4-二氯苯基)-2-(1H-咪唑-1-基甲基)-1,3-二噁戊环-4-基]甲氧基]苯基]-,1-氧化,顺-(9CI) 硫代吗啉,3-乙基-2-甲基- 硫代吗啉 1,1-二氧化物盐酸盐 硫代吗啉 甲基2-乙氧基-6H-1,3-噻嗪-5-羧酸酯 甲基2-(甲基氨基)-4-氧代-5,6-二氢-4H-1,3-噻嗪-6-羧酸酯 甲基(2Z)-3-苄基-2-(苄基亚氨基)-4-氧代-1,3-噻嗪烷-6-羧酸酯 甲基(2Z)-3-异丙基-2-(异丙基亚胺)-4-氧代-1,3-噻嗪烷-6-羧酸酯 巯基吗啉-4-甲酸叔丁酯 四氢-3-甲基-2-苯基-4H-1,3-噻嗪-4-酮1,1-二氧化物 四氢-1,4-噻嗪-3,5-二酮 噻唑并[2,3-c][1,4]噻嗪-3(2H)-硫酮,8a-乙基四氢-8-甲基- 反式环戊烯三硫代碳酸酯 二苯甲基{5-[(4,6-二脱氧六吡喃糖基)氧代]-2,4,6-三羟基环己烷-1,3-二基}二(甲基氨基甲酸酯) n-boc-2-硫代吗啉羧酸乙酯 [(2Z)-3-氰基-1,3-噻唑烷-2-亚基]氰胺 N-甲基四氢-1,2-噻嗪S,S-二氧化物 N-甲基-4-硫代吗啉甲酰胺 N-环己基-5,6-二氢-4H-1,3-噻嗪-2-胺 N-亚硝基硫代吗啉 N-丁基-5,6-二氢-4H-1,3-噻嗪-2-胺 N-Boc-1,4-噻嗪S,S-二氧化物 N-(3-氨基丙基)-硫代吗啉 N-(2-羟基丙基)硫代吗啉 N-(2-羟乙基)吗啉 AMT盐酸盐 6-苄基-2-甲基噻嗪1,1-二氧化物 6-羟基-5,6-二甲基-1,3-噻吖己环-2-硫酮 6-甲基-4-苯基硫代吗啉-3-酮 6-甲基-2-苯基-5,6-二氢-4H-1,3-噻嗪 6-甲基-1,3-噻嗪-2-硫酮 6-异丙基-3-硫代吗啉酮1-氧化物 6-异丙基-3-硫代吗啉酮 6-丙基-硫代吗啉-3-酮 6-(丁氧基甲基)-4-苯基硫代吗啉-3-酮 6,6-二甲基-1,4-噻嗪-2,5-二甲酸 5H-[1,3]噻唑并[5,4-h][1,4]苯并噻嗪 5-甲基-6-(吡啶-3-基)硫代吗啉-3-酮盐酸(1:1)