[3-(8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-pteridin-2-ylamino)-5-(methylsulfonyl)-phenyl]-thiocarbamic acid ethyl ester | 1044272-61-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: [3-(8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-pteridin-2-ylamino)-5-(methylsulfonyl)-phenyl]-thiocarbamic acid ethyl ester
• 英文别名: [3-(8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-ylamino)-5-(methylsulfonyl)phenyl]thiocarbamic acid ethyl ester；S-ethyl N-[3-[(5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)amino]-5-methylsulfonylphenyl]carbamothioate
• CAS: 1044272-61-8
• 化学式: C₂₀H₂₆N₆O₄S₂
• 分子量: 478.596
• InChiKey: TUPJRZSIOZZLII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  158
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  [3-(8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-pteridin-2-ylamino)-5-(methylsulfonyl)-phenyl]-thiocarbamic acid ethyl ester 、 (R)-2-(氨甲基)-1-BOC-吡咯烷 以 N,N-二甲基甲酰胺 为溶剂， 以88.5%的产率得到(R)-2-[3-[3-(8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-ylamino)-5-(methylsulfonyl)phenyl]ureidomethyl]pyrrolidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Pteridinone derivatives as PI3-kinases inhibitors

  摘要：

  根据其作为PI3-激酶调节剂的药理活性，提供了公式1的新化合物，可用于治疗炎症或过敏性疾病的治疗领域。 这些例子包括炎症和过敏性呼吸道疾病，胃肠道和运动器官的炎症性疾病，炎症性和过敏性皮肤疾病，炎症性眼病，鼻黏膜疾病，涉及自身免疫反应或肾脏炎症的炎症性或过敏性疾病。

  公开号：

  EP1953163A1

文献信息

• PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS
  申请人：Giovannini Riccardo

  公开号：US20100099680A1

  公开（公告）日：2010-04-22

  New compounds of Formula (1) are provided which by virtue of their pharmaceutical activity as PI3-kinase modulators may be used in the therapeutic field for the treatment of inflammatory or allergic diseases. Examples of these include inflammatory and allergic respiratory complaints, inflammatory diseases of the gastro-intestinal tract and motor apparatus, inflammatory and allergic skin diseases, inflammatory eye diseases, diseases of the nasal mucosa, inflammatory or allergic conditions involving autoimmune reactions or inflammations of the kidney.

  提供了Formula（1）的新化合物，由于其作为PI3-kinase调节剂的药理活性，可用于治疗炎症或过敏性疾病的治疗领域。其中包括炎症和过敏性呼吸道疾病，胃肠道和运动器官的炎症性疾病，炎症和过敏性皮肤疾病，炎症性眼部疾病，鼻黏膜疾病，涉及自身免疫反应或肾脏炎症的炎症或过敏性疾病。
• PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP2114945B1

  公开（公告）日：2010-10-20
• US8410100B2
  申请人：——

  公开号：US8410100B2

  公开（公告）日：2013-04-02
• [EN] PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS<br/>[FR] DÉRIVÉS DE PTÉRIDINONE SERVANT D'INHIBITEURS DES PI3-KINASES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2008092831A1

  公开（公告）日：2008-08-07

  [EN] New compounds of Formula (1) are provided which by virtue of their pharmaceutical activity as PI3-kinase modulators may be used in the therapeutic field for the treatment of inflammatory or allergic diseases. Examples of these include inflammatory and allergic respiratory complaints, inflammatory diseases of the gastro-intestinal tract and motor apparatus, inflammatory and allergic skin diseases, inflammatory eye diseases, diseases of the nasal mucosa, inflammatory or allergic conditions involving autoimmune reactions or inflammations of the kidney.
  [FR] L'invention concerne de nouveaux composés de formule (1) lesquels, en raison de leur activité pharmaceutique en tant que modulateurs des PI3-kinases, peuvent être utilisés dans le domaine thérapeutique pour le traitement de maladies inflammatoires ou allergiques. Les exemples de celles-ci comprennent des affections respiratoires inflammatoires et allergiques, des maladies inflammatoires du tractus gastro-intestinal et de l'appareil moteur, des maladies inflammatoires et allergiques de la peau, des maladies inflammatoires de l'oel, des maladies de la muqueuse nasale, des affections inflammatoires ou allergiques mettant en jeu des réactions auto-immunes ou des inflammations du rein.
• Pteridinone derivatives as PI3-kinases inhibitors
  申请人：Boehringer Ingelheim Pharma GmbH & Co. KG

  公开号：EP1953163A1

  公开（公告）日：2008-08-06

  New compounds of formula 1 are provided which by virtue of their pharmaceutical activity as PI3-kinase modulators may be used in the therapeutic field for the treatment of inflammatory or allergic diseases. Examples of these include inflammatory and allergic respiratory complaints, inflammatory diseases of the gastro-intestinal tract and motor apparatus, inflammatory and allergic skin diseases, inflammatory eye diseases, diseases of the nasal mucosa, inflammatory or allergic conditions involving autoimmune reactions or inflammations of the kidney.

  根据其作为PI3-激酶调节剂的药理活性，提供了公式1的新化合物，可用于治疗炎症或过敏性疾病的治疗领域。 这些例子包括炎症和过敏性呼吸道疾病，胃肠道和运动器官的炎症性疾病，炎症性和过敏性皮肤疾病，炎症性眼病，鼻黏膜疾病，涉及自身免疫反应或肾脏炎症的炎症性或过敏性疾病。