N-(5-isopropyl-1,3-thiazol-2-yl)-N'-(4-chlorobenzyl)urea | 267430-63-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(5-isopropyl-1,3-thiazol-2-yl)-N'-(4-chlorobenzyl)urea
• 英文别名: 1-[(4-Chlorophenyl)methyl]-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
• CAS: 267430-63-7
• 化学式: C₁₄H₁₆ClN₃OS
• 分子量: 309.82
• InChiKey: IFEKUSUSQBFPOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  82.3
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents
  申请人：——

  公开号：US20030187040A1

  公开（公告）日：2003-10-02

  Compounds which are 2-ureido-1,3-thiazole derivatives of formula (I) wherein R is a halogen atom, a nitro group, an optionally substituted amino group or it is a group, optionally further substituted, selected from: i) straight or branched C1-C6 alkyl; ii) C3-C6 cycloalkyl; iii) aryl or arylalkyl with from 1 to 6 carbon atoms within the straight or branched alkyl chain; R1 is an optionally substituted group selected from: i) straight or branched C1-C6 alkyl; ii) 3 to 6 membered carbocycle or 5 to 7 membered heterocycle ring, iii) aryl or arylcarbonyl; iv) arylalkyl with from 1 to 6 carbon atoms within the straight or branched alkyl chain: R2 is hydrogen, a straight or branched C1-C4 alkyl or C2-C4 alkenyl or alkynyl group; or, taken together with the nitrogen atom to which they are bonded, R1 and R2 form a substituted or unsubstituted group selected from: i) an optionally benzocondensed or bridged 5 to 7 membered heterocycle; or ii) a 9 to 11 membered spiro-heterocyclic compound; or a pharmaceutically acceptable salt thereof; are useful for treating cell proliferative disorders associated with an altered cell dependent kinase activity.

  化合物是公式（I）的2-脲基-1,3-噻唑衍生物，其中R是卤素原子，硝基，可选择取代的氨基团或者是从以下选项中选择的可选择进一步取代的基团：i）直链或支链的C1-C6烷基；ii）C3-C6环烷基；iii）芳基或芳基烷基，在直链或支链烷基链中含有1至6个碳原子；R1是可选择取代的基团，选择自：i）直链或支链的C1-C6烷基；ii）3至6成员碳环或5至7成员杂环环，iii）芳基或芳基酰基；iv）芳基烷基，在直链或支链烷基链中含有1至6个碳原子；R2是氢，直链或支链的C1-C4烷基或C2-C4烯基或炔基；或者，与它们结合的氮原子一起，R1和R2形成一个选择自：i）可选择苯并或桥联的5至7成员杂环；或ii）9至11成员螺环杂环化合物；或其药用盐，用于治疗与改变的细胞依赖性激酶活性相关的细胞增殖异常。
• US6863647B2
  申请人：——

  公开号：US6863647B2

  公开（公告）日：2005-03-08