4-环己基-2-甲基-噻唑 | 100133-05-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4-环己基-2-甲基-噻唑
• 英文名称: 4-cyclohexyl-2-methyl-thiazole
• 英文别名: 4-Cyclohexyl-2-methyl-thiazol；4-cyclohexyl-2-methylthiazole；4-Cyclohexyl-2-methyl-1,3-thiazole
• CAS: 100133-05-9
• 化学式: C₁₀H₁₅NS
• mdl: MFCD25954005
• 分子量: 181.302
• InChiKey: FNYRPSBBZJSEIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-环己基-2-甲基-噻唑 、 丙酸乙酯 在 lithium diethylamide 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以53%的产率得到1-(4-cyclohexylthiazol-2-yl)butan-2-one
  参考文献：
  名称：

  A novel 3,4-dihydropyrimidin-2(1H)-one: HIV-1 replication inhibitors with improved metabolic stability

  摘要：

  Following the previous SAR of a novel dihydropyrimidinone scaffold as HIV-1 replication inhibitors a detailed study directed towards optimizing the metabolic stability of the ester functional group in the dihydropyrimidinone (DHPM) scaffold is described. Replacement of the ester moiety by thiazole ring significantly improved the metabolic stability while retaining antiviral activity against HIV-1 replication. These novel and potent DHPMs with bioisosteres could serve as advanced leads for further optimization. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.133
• 作为产物：
  描述：

  乙酰基环己烷 在 溴 作用下， 以 甲醇 、 水 为溶剂， 反应 2.5h， 生成 4-环己基-2-甲基-噻唑
  参考文献：
  名称：

  A novel 3,4-dihydropyrimidin-2(1H)-one: HIV-1 replication inhibitors with improved metabolic stability

  摘要：

  Following the previous SAR of a novel dihydropyrimidinone scaffold as HIV-1 replication inhibitors a detailed study directed towards optimizing the metabolic stability of the ester functional group in the dihydropyrimidinone (DHPM) scaffold is described. Replacement of the ester moiety by thiazole ring significantly improved the metabolic stability while retaining antiviral activity against HIV-1 replication. These novel and potent DHPMs with bioisosteres could serve as advanced leads for further optimization. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.133

文献信息

• [EN] HIV REPLICATION INHIBITORS<br/>[FR] INHIBITEURS DE LA RÉPLICATION DU VIH
  申请人：SOUTHERN RES INST

  公开号：WO2013033003A1

  公开（公告）日：2013-03-07

  Compounds of Formula (I) wherein B is selected from the group consisting of substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl; Y is a linker moiety selected from the group consisting of a direct bond. R, R1, R2, and R3 are each individually selected from the group consisting substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl, or heterocycle.

  式（I）中的化合物，其中B选自取代或未取代的芳基，取代或未取代的杂环基；Y是选自直接键等的连接子基团。R、R1、R2和R3分别选自取代或未取代的芳基，取代或未取代的杂环基或杂环烃基。
• Asinger et al., Justus Liebigs Annalen der Chemie, 1958, vol. 619, p. 145,157
  作者：Asinger et al.

  DOI：——

  日期：——
• HIV REPLICATION INHIBITORS
  申请人：Southern Research Institute

  公开号：EP2748150B1

  公开（公告）日：2016-11-30
• Purine Diones As Wnt Pathway Modulators
  申请人：Agency for Science, Technology and Research

  公开号：US20170334912A1

  公开（公告）日：2017-11-23

  The invention relates to the use of compounds of general structure (I) in modulation of the Wnt pathway [Formula should be inserted here] wherein R 1 , R 2 , R 3 , R 4 and R 5 are each, independently, H or an alkyl group; D is selected from the group consisting of H, halogen, alkyl, cycloalkyl, aryl, and dialkylamino, each (other than H and halogen) being optionally substituted; Ar is an aryl or heteroaryl group, optionally substituted; Cy is an aryl, heteroaryl or a saturated ring containing at least one heteroatom, each being optionally substituted; and n is an integer from 1 to 3.
• US9120787B2
  申请人：——

  公开号：US9120787B2

  公开（公告）日：2015-09-01