methyl [2-(tritylamino)-1,3-thiazol-5-yl]acetate | 385785-17-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: methyl [2-(tritylamino)-1,3-thiazol-5-yl]acetate
• 英文别名: methyl (2-((N-triphenylmethyl)amino)-1,3-thiazol-5-yl) acetate；Methyl-(2-tritylamino-1,3-thiazole-5-yl)acetate；Methyl(2-tritylamino-1,3-thiazole-5-yl)acetate；methyl 2-[2-(tritylamino)-1,3-thiazol-5-yl]acetate
• CAS: 385785-17-1
• 化学式: C₂₅H₂₂N₂O₂S
• 分子量: 414.528
• InChiKey: AVRQNNWUYMCBMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  79.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl [2-(tritylamino)-1,3-thiazol-5-yl]acetate 在 sodium hydroxide 、 水 、 盐酸 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 3.0h， 以88%的产率得到[2-(tritylamino)-1,3-thiazol-5-yl]acetic acid
  参考文献：
  名称：

  [EN] QUINAZOLINE COMPOUNDS
  [FR] COMPOSES DE QUINAZOLINE

  摘要：

  式(I)中的喹唑啉衍生物，其中A是含有硫原子并且可选地含有一个或多个氮原子的5-成员杂芳基；含有它们的组合物，其制备方法以及它们在治疗中的用途。

  公开号：

  WO2004058752A1
• 作为产物：
  描述：

  三苯基氯甲烷 、 (2-氨基噻唑-5-基)乙酸甲酯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.25h， 以89%的产率得到methyl [2-(tritylamino)-1,3-thiazol-5-yl]acetate
  参考文献：
  名称：

  [EN] QUINAZOLINE COMPOUNDS
  [FR] COMPOSES DE QUINAZOLINE

  摘要：

  式(I)中的喹唑啉衍生物，其中A是含有硫原子并且可选地含有一个或多个氮原子的5-成员杂芳基；含有它们的组合物，其制备方法以及它们在治疗中的用途。

  公开号：

  WO2004058752A1

文献信息

• Substituted quinazoline derivatives and their use as inhibitors
  申请人：AstraZeneca AB

  公开号：US20030187002A1

  公开（公告）日：2003-10-02

  The use of a compound of formula (I) 1 or a salt, ester or amide thereof; where X is O, or S, S(O) or S(O) 2 , or NR 6 where R 6 is hydrogen or C 1-6 alkyl,; R 5 is an optionally substituted 5-membered heteroaromatic ring, R 1 , R 2 , R 3 , R 4 are independently selected from various specified moieties, in the preparation of a medicament for use in the inhibition of aurora 2 kinase. Certain compounds are novel and these, together with pharmaceutical compositions containing them are also described and claimed.

  使用式(I)的化合物或其盐、酯或酰胺； 其中X为O、S、S(O)或S(O)2，或NR6，其中R6为氢或C1-6烷基； R5为可选择取代的5-成员杂芳环， R1、R2、R3、R4分别选自各种指定的基团，在制备用于抑制aurora 2激酶的药物中使用。 某些化合物是新颖的，这些化合物以及含有它们的药物组合物也有描述和声明。
• Substituted quinazoline derivatives and their use as inhibitors of aurora-2 kinase
  申请人：Mortlock Andrew

  公开号：US06919338B2

  公开（公告）日：2005-07-19

  The use of a compound of formula (I) or a salt, ester or amide thereof; where X is O, or S, S(O) or S(O) 2 , or NR 6 where R 6 is hydrogen or C 1-6 alkyl; R 5 is an optionally substituted 5-membered heteroaromatic ring, R 1 , R 2 , R 3 , R 4 are independently selected from various specified moieties, in the preparation of a medicament for use in the inhibition of aurora 2 kinase. Certain compounds are novel and these, together with pharmaceutical compositions containing them are also described and claimed.

  使用式(I)的化合物或其盐、酯或酰胺；其中X为O、S、S(O)或S(O)2，或NR6，R6为氢或C1-6烷基；R5为可选取代的5-成员杂芳环；R1、R2、R3、R4分别选择自各种指定基团，用于制备用于抑制极化2激酶的药物。某些化合物是新颖的，同时还描述和声明了含有它们的制药组合物。
• Discovery of Novel and Potent Thiazoloquinazolines as Selective Aurora A and B Kinase Inhibitors
  作者：Frédéric H. Jung、Georges Pasquet、Christine Lambert-van der Brempt、Jean-Jacques M. Lohmann、Nicolas Warin、Fabrice Renaud、Hervé Germain、Chris De Savi、Nicola Roberts、Trevor Johnson、Cyril Dousson、George B. Hill、Andrew A. Mortlock、Nicola Heron、Robert W. Wilkinson、Stephen R. Wedge、Simon P. Heaton、Rajesh Odedra、Nicholas J. Keen、Stephen Green、Elaine Brown、Katherine Thompson、Stephen Brightwell

  DOI：10.1021/jm050786h

  日期：2006.2.1

  The synthesis of a novel series of quinazolines substituted at C4 by five-membered ring aminoheterocycles is reported. Their in vitro structure-activity relationships versus Aurora A and B serine-threonine kinases is discussed. Our results demonstrate that quinazolines with a substituted aminothiazole at C4 possess potent Aurora A and B inhibitory activity and excellent selectivity against a panel of various serine-threonine and tyrosine kinases, as exemplified by compound 46. We found also that the position and nature of the substituent on the thiazole play key roles in cellular potency. Compounds with an acetanilide substituent at C5' have the greatest cellular activity. The importance of the C5' position for substitution has been rationalized by ab initio molecular orbital calculations. Results show that the planar conformation with the sulfur of the thiazole next to the quinazoline N-3 is strongly favored over the other possible planar conformation. Compound 46 is a potent suppressor of the expression of phospho-histone H3 in tumor cells in vitro as well as in vivo, where 46, administered as its phosphate prodrug 54, suppresses the expression of phospho-histone H3 in subcutaneously implanted tumors in nude mice.
• [EN] QUINAZOLINE COMPOUNDS<br/>[FR] COMPOSES DE QUINAZOLINE
  申请人：ASTRAZENECA AB

  公开号：WO2004058752A1

  公开（公告）日：2004-07-15

  Quinazoline derivatives of formula (I) wherein A is 5-membered heteroaryl containing a sulphur atom and optionally containing one or more nitrogen atoms; compositions containing them, processes for their preparation and their use in therapy.

  式(I)中的喹唑啉衍生物，其中A是含有硫原子并且可选地含有一个或多个氮原子的5-成员杂芳基；含有它们的组合物，其制备方法以及它们在治疗中的用途。