2-[4,6-Dichloro-5-(2-oxo-ethyl)-pyrimidin-2-ylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester | 695180-15-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-[4,6-Dichloro-5-(2-oxo-ethyl)-pyrimidin-2-ylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester
• 英文别名: Ethyl 2-[[4,6-dichloro-5-(2-oxoethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
• CAS: 695180-15-5
• 化学式: C₁₃H₁₂Cl₂N₄O₃S
• 分子量: 375.235
• InChiKey: LUNBGAFSTXRTPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-[4,6-Dichloro-5-(2-oxo-ethyl)-pyrimidin-2-ylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 四氢呋喃 、 正丁醇 为溶剂， 生成 2-[7-(4-methanesulfonyl-benzyl)-4-methylamino-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-ylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester
  参考文献：
  名称：

  Fused pyrimidine based inhibitors of phosphodiesterase 7 (PDE7): synthesis and initial structure–activity relationships

  摘要：

  A series of fused pyrimidine based inhibitors of PDE7 have been derived from an earlier screening lead 1. The synthesis, structure-activity relationships (SAR) and selectivity against several other PDE family members are described. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.025
• 作为产物：
  描述：

  5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-ylguanidine 在 sodium periodate 、 四氧化锇 、 N-甲基吲哚酮 、 sodium ethanolate 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 生成 2-[4,6-Dichloro-5-(2-oxo-ethyl)-pyrimidin-2-ylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester
  参考文献：
  名称：

  Fused pyrimidine based inhibitors of phosphodiesterase 7 (PDE7): synthesis and initial structure–activity relationships

  摘要：

  A series of fused pyrimidine based inhibitors of PDE7 have been derived from an earlier screening lead 1. The synthesis, structure-activity relationships (SAR) and selectivity against several other PDE family members are described. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.025

文献信息

• Fused Heterocyclic Compounds and Use Thereof
  申请人：Barbosa Joseph

  公开号：US20080293650A1

  公开（公告）日：2008-11-27

  Fused heterocylic compounds of the following Formula wherein R 1 , R 2 , R 5 , Z, J 1 and J 2 are described herein, and analogs thereof are provided which are useful in treating leukocyte activation-associated disorders.

  以下式子描述的融合杂环化合物，其中R1、R2、R5、Z、J1和J2在此处描述，并提供了其类似物，可用于治疗白细胞激活相关疾病。
• FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF
  申请人：Barbosa Joseph

  公开号：US20110230468A1

  公开（公告）日：2011-09-22

  Fused heterocylic compounds of the following Formula wherein R 1 , R 2 , R 5 , Z, J 1 and J 2 are described herein, and analogs thereof are provided which are useful in treating leukocyte activation-associated disorders.

  以下式子描述了以下融合杂环化合物：其中R1、R2、R5、Z、J1和J2如下所述，并提供了用于治疗白细胞激活相关疾病的类似物。
• Fused heterocyclic compounds and use thereof
  申请人：——

  公开号：US20040142945A1

  公开（公告）日：2004-07-22

  Fused heterocylic compounds of the following Formula 1 wherein R 1 , R 2 , R 5 , Z, J 1 and J 2 are described herein, and analogs thereof are provided which are useful in treating leukocyte activation-associated disorders.

  下式的融合杂环化合物 1 其中 R 1 , R 2 , R 5 Z, J 1 和 J 2 及其类似物，可用于治疗白细胞活化相关疾病。
• US7384937B2
  申请人：——

  公开号：US7384937B2

  公开（公告）日：2008-06-10
• US7981881B2
  申请人：——

  公开号：US7981881B2

  公开（公告）日：2011-07-19