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异丁基-硫脲 | 1516-33-2

中文名称
异丁基-硫脲
中文别名
硫脲,N-(2-甲基丙基)-
英文名称
N-isobutylthiourea
英文别名
N-Isobutyl-thioharnstoff;Isobutylthiourea;2-methylpropylthiourea
异丁基-硫脲化学式
CAS
1516-33-2
化学式
C5H12N2S
mdl
MFCD00971944
分子量
132.23
InChiKey
RGTMILHZLXZRGF-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):
    0.9
  • 重原子数:
    8
  • 可旋转键数:
    2
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.8
  • 拓扑面积:
    70.1
  • 氢给体数:
    2
  • 氢受体数:
    1

安全信息

  • 海关编码:
    2930909090

SDS

SDS:d768c03bd99b97407e8486c85a6d7073
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反应信息

  • 作为反应物:
    描述:
    异丁基-硫脲盐酸N-氰基二乙基胺 作用下, 以 乙醇 为溶剂, 生成 N,N'-Di-isobutyl-bis-formamidinsulfid
    参考文献:
    名称:
    Beyer,H.; Giebelmann,R., Journal fur praktische Chemie (Leipzig 1954), 1963, vol. 20, p. 263 - 274
    摘要:
    DOI:
  • 作为产物:
    描述:
    异硫氰酸异丁酯 作用下, 生成 异丁基-硫脲
    参考文献:
    名称:
    取代5,5'-二苯基-2-硫代咪唑啉酮-4-酮作为CB1大麻素受体配体:合成和药理学评估。
    摘要:
    合成了一组30个取代的5,5'-二苯基-2-硫代氧杂咪唑啉-4-酮(硫代乙内酰脲)衍生物,并评估了它们对人CB(1)大麻素受体的亲和力。这些化合物衍生自先前描述的大麻素配体5,5'-二苯基咪唑烷-2,4-二酮(乙内酰脲)。用硫取代氧会导致亲和力增加,而[[35] S] GTPgammaS实验所确定的功能(即反向激动作用)仍然不受影响。最后,为了评估可能影响巯基乙内酰脲亲和力的分子参数,对代表性的巯基乙内酰脲和乙内酰脲衍生物进行了分子静电势以及亲脂性计算。总之,5,5'-双-(4-碘苯基)-3-丁基-2-硫代氧杂咪唑啉丁-4-酮(31)和3-烯丙基-5,
    DOI:
    10.1021/jm049263k
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文献信息

  • [EN] SUBSTITUTED N-ALKYLPYRIMIDINONES<br/>[FR] N-ALKYLPYRIMIDINONES SUBSTITUES
    申请人:PHARMACIA & UPJOHN CO LLC
    公开号:WO2006040666A1
    公开(公告)日:2006-04-20
    This invention is directed generally to substituted pyrimidinone compounds that generally inhibit p38 kinase, TNF, and/or cyclooxygenase activity. Such substituted pyrimidinone include compounds generally corresponding in structure to the following formula (I): wherein R1, R2, R3, R4A, R4B, R4C, R4D and R4E are as defined in this specification. This invention also is directed to compositions of such substituted pyrimidinones (particularly pharmaceutical compositions), intermediates for the syntheses of such substituted pyrimidinones, methods for making such substituted pyrimidinones, and methods for treating (including preventing) conditions (typically pathological conditions) associated with p38 kinase activity, TNF activity, and/or cyclooxygenase-2 activity.
    本发明一般涉及取代吡啶酮化合物,这些化合物通常抑制p38激酶、肿瘤坏死因子(TNF)和/或环氧合酶活性。这类取代吡啶酮包括与以下公式(I)结构相对应的化合物:其中R1、R2、R3、R4A、R4B、R4C、R4D和R4E按本说明书定义。本发明还涉及这些取代吡啶酮的组成物(特别是药物组成物)、用于合成这些取代吡啶酮的中间体、制造这些取代吡啶酮的方法,以及用于治疗(包括预防)与p38激酶活性、TNF活性和/或环氧合酶-2活性相关的病症(通常是病理状况)的方法。
  • New aspects of reactions of methyl (thio)ureas with benzil
    作者:Vladimir V. Baranov、Tatyana N. Vol'khina、Yulia V. Nelyubina、Angelina N. Kravchenko
    DOI:10.1016/j.mencom.2021.09.027
    日期:2021.9
    New pathways of reaction between 1-methylthiourea or 1-methylurea and benzil bring about new derivatives of (2S*,3aR*,6aS*)-perhydro-3aH-[1,3]dioxolo[4,5-d]imidazole and racemic (4S*,5R*)-4-alkoxy-5-hydroxy-1-methyl-4,5-diphenylimidazolidine-2-thiones. Some of the obtained urea-and thiourea derivatives were characterized by X-ray diffraction, which showed their supramolecular organization governed
    1-甲基硫脲或1-甲基脲与苄基反应的新途径产生(2 S *,3a R *,6a S *)-perhydro-3a H -[1,3]dioxolo[4,5- d的新衍生物]咪唑和外消旋 (4 S *,5 R *)-4-烷氧基-5-羟基-1-甲基-4,5-二苯基咪唑烷-2-硫酮。一些获得的脲和硫脲衍生物通过 X 射线衍射表征,表明它们的超分子组织受受体侧 C=O 或 C=S 基团的氢键方向性控制。
  • [EN] THIOXANTHINE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS<br/>[FR] DERIVES DE THIOXANTHINE UTILISES COMME INHIBITEURS DE LA MYELOPEROXYDASE
    申请人:ASTRAZENECA AB
    公开号:WO2003089430A1
    公开(公告)日:2003-10-30
    There is disclosed the use of a compound of formula (Ia) or (Ib)wherein R1, R2, R3, R4, X and Y are as defined in the specification, and pharmaceutically acceptable salts thereof, in the manufacture of a medicament, for the treatment or prophylaxis of diseases or conditions in which inhibition of the enzyme myeloperoxidase (MPO) is beneficial. Certain novel compounds of formula (Ia) or (Ib) and pharmaceutically acceptable salts thereof are disclosed, together with processes for their preparation. The compounds of formulae (Ia) and (Ib) are MPO inhibitors and are thereby particularly useful in the treatment or prophylaxis of neuroinflammatory disorders.
    本文披露了化合物的使用,其化学式为(Ia)或(Ib),其中R1、R2、R3、R4、X和Y如规范中所定义,以及其药用可接受的盐,在制备药物时用于治疗或预防通过抑制酶髓过氧化物酶(MPO)对疾病或情况有益的药物。本文披露了化学式(Ia)或(Ib)的某些新型化合物及其药用可接受的盐,以及其制备过程。化学式(Ia)和(Ib)的化合物是MPO抑制剂,因此在神经炎症性疾病的治疗或预防中特别有用。
  • A convenient and efficient method for the synthesis of mono- and N,N-disubstituted thioureas
    作者:Mitsuo Kodomari、Masato Suzuki、Keiko Tanigawa、Tadashi Aoyama
    DOI:10.1016/j.tetlet.2005.06.135
    日期:2005.8
    A convenient method for the synthesis of mono- and N,N-disubstituted thioureas by the debenzoylation of N-substituted- and N,N-disubstituted-N′-benzoylthioureas with hydrazine hydrate under solvent-free conditions has been developed. N-Substituted-N′-benzoylthioureas and hydrazine hydrate were mixed, and stirred at room temperature without a solvent to give the corresponding N-substituted thioureas
    开发了一种方便的方法,该方法在无溶剂条件下通过水合肼将N-取代的和N,N-二取代的-N'-苯甲酰基硫脲进行苯甲酰化来合成单和N,N-二取代的硫脲。混合N-取代的-N'-苯甲酰基硫脲和水合肼,并在室温下在无溶剂的情况下搅拌,以高收率得到相应的N-取代的硫脲。
  • Dihydropyrimidine-Thiones and Clioquinol Synergize To Target β-Amyloid Cellular Pathologies through a Metal-Dependent Mechanism
    作者:Daniel F. Tardiff、Lauren E. Brown、Xiaohui Yan、Richard Trilles、Nathan T. Jui、M. Inmaculada Barrasa、Kim A. Caldwell、Guy A. Caldwell、Scott E. Schaus、Susan Lindquist
    DOI:10.1021/acschemneuro.7b00187
    日期:2017.9.20
    peptide implicated in Alzheimer’s disease. Rescue of Aβ toxicity by DHPM-thiones occurred through a metal-dependent mechanism of action. The bioactivity was distinct, however, from that of the 8-hydroxyquinoline clioquinol (CQ). These structurally dissimilar compounds strongly synergized at concentrations otherwise not competent to reduce toxicity. Cotreatment ameliorated Aβ toxicity by reducing Aβ levels
    神经退行性疾病疗法的缺乏是由于我们对其潜在的细胞毒性的不完全了解以及预测模型系统的数量有限而引起的。我们开发识别新目标物和先导化合物的方法至关重要。在这里,酵母蛋白病模型的表型筛选确定了二氢嘧啶-硫酮(DHPM-硫酮),该二氢嘧啶-硫酮选择性地挽救了与淀粉样蛋白(Aβ)(与阿尔茨海默氏病有关的肽)引起的毒性。DHPM-硫酮可通过金属依赖性作用机制来挽救Aβ毒性。然而,其生物活性不同于8-羟基喹啉氯喹醇(CQ)。这些在结构上不同的化合物在不具有降低毒性的浓度下可以强烈地协同作用。共同治疗可通过降低Aβ水平和恢复功能性小泡运输来改善Aβ毒性。值得注意的是,这些低剂量可显着降低高浓度CQ对线粒体造成的有害脱靶效应。单一和组合治疗都可以减少线虫中表达Aβ​​的神经元的死亡,这表明DHPM-硫酮靶向保守的保护机制。此外,这种保守的活性表明Aβ肽的表达引起从酵母到神经元的相似细胞病理。我们对需要金属结
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