1-甲基-3-(2-甲基丙基)硫脲 | 59814-51-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫脲类
• 中文名称: 1-甲基-3-(2-甲基丙基)硫脲
• 英文名称: N-isobutyl-N'-methyl-thiourea
• 英文别名: N-Isobutyl-N'-methyl-thioharnstoff；1-isobutyl-3-methyl-thiourea；1-methyl-3-isobutyl-thiourea；1-isobutyl-3-methylthiourea；N-Methyl-N'-i-butylthioharnstoff；1-methyl-3-(2-methylpropyl)thiourea
• CAS: 59814-51-6
• 化学式: C₆H₁₄N₂S
• mdl: MFCD06088327
• 分子量: 146.257
• InChiKey: VYXKZXCLFLKQPF-UHFFFAOYSA-N

物化性质

• 沸点：
  184.8±23.0 °C(Predicted)
• 密度：
  0.971±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  56.2
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-甲基-3-(2-甲基丙基)硫脲 生成 1-Hydroxy-2-methyl-3-(2-methylpropyl)guanidine
  参考文献：
  名称：

  DE2342312

  摘要：

  公开号：
• 作为产物：
  描述：

  异丁胺 、 异硫氰酸甲酯 在 乙醇 作用下， 生成 1-甲基-3-(2-甲基丙基)硫脲
  参考文献：
  名称：

  Hecht, Chemische Berichte, 1892, vol. 25, p. 814

  摘要：

  DOI：

文献信息

• Thiazolidine derivatives
  申请人：Hoechst Aktiengesellschaft

  公开号：US04061761A1

  公开（公告）日：1977-12-06

  The invention relates to thiazolidine derivatives having in 4-position a hydroxy group and a 3'-sulphamyl-phenyl substituent, in 2-position an imino group and in 1-position an aliphatic or cycloaliphatic substituent. Said thiazolidines have diuretic activity. The invention also relates to a process for the manufacture of said compounds.

  本发明涉及在4位具有羟基和3'-磺酰氨基-苯基取代基，在2位具有亚氨基，在1位具有脂肪族或环脂肪族取代基的噻唑烷衍生物。所述噻唑烷具有利尿活性。本发明还涉及制造所述化合物的方法。
• Thiazolidine derivatives and their use as salidiuretics
  申请人：Hoechst Aktiengesellschaft

  公开号：US04083979A1

  公开（公告）日：1978-04-11

  Diuretically active thiazolidine compounds and methods for making the same are disclosed, said compounds having an alkyl or alkenyl substituent in the 1-position, an imino group in the 2-position, and an hydroxy group and an N-acylated 3'-sulfamoylphenyl substituent in the 4-position, i.e. ##STR1##

  本发明揭示了具有利尿活性的噻唑烷化合物以及制备这些化合物的方法，所述化合物在1-位置具有烷基或烯基取代基，在2-位置具有亚胺基，在4-位置具有羟基和N-酰化3'-磺胺基苯基取代基，即##STR1##
• [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。
• Thioxanthine derivatives as myeloperoxidase inhibitors
  申请人：Hanson Sverker

  公开号：US20050234036A1

  公开（公告）日：2005-10-20

  There is disclosed the use of a compound of formula (Ia) or (Ib) wherein R 1 , R 2 , R 3 , R 4 , 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.

  本文公开了化合物(Ia)或(Ib)的使用，其中R1、R2、R3、R4、X和Y如规范中所定义，并公开了其药学上可接受的盐，在制造药物方面，用于治疗或预防酶髓过氧化物酶(MPO)抑制有益的疾病或状况。公开了某些新颖的化合物(Ia)或(Ib)及其药学上可接受的盐，以及它们的制备方法。化合物(Ia)和(Ib)是MPO抑制剂，因此在治疗或预防神经炎性疾病方面特别有用。
• Thioxanthine Derivatives as Myeloperoxidase Inhibitors
  申请人：Hanson Sverker

  公开号：US20080293748A1

  公开（公告）日：2008-11-27

  There is disclosed the use of a compound of formula (Ia) or (Ib) wherein R 1 , R 2 , R 3 , R 4 , 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.

  本发明公开了使用式(Ia)或(Ib)的化合物及其药学上可接受的盐在制备药物时的应用，其中R1、R2、R3、R4、X和Y如规范所定义，用于治疗或预防抑制酶髓过氧化物酶(MPO)对于疾病或病情的益处。公开了某些新颖的化合物(Ia)或(Ib)及其药学上可接受的盐，以及其制备方法。式(Ia)和(Ib)的化合物是MPO抑制剂，因此在治疗或预防神经炎症性疾病方面特别有用。