6-bromo-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidin-2,4(1H,3H)-dione | 259862-18-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 6-bromo-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidin-2,4(1H,3H)-dione
• 英文别名: 6-Bromo-3-methyl-1-(2-methylpropyl)-thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione；6-Bromo-1-isobutyl-3-methylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione；6-bromo-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione
• CAS: 259862-18-5
• 化学式: C₁₁H₁₃BrN₂O₂S
• 分子量: 317.206
• InChiKey: KLBJOSBKQSUDAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  68.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-bromo-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidin-2,4(1H,3H)-dione 在 三乙基硅烷 、 三氟乙酸 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 5-bromo-1-isobutyl-3-methyl-6-[2-(trifluoromethyl)benzyl]-thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  Potent blockers of the monocarboxylate transporter MCT1: Novel immunomodulatory compounds

  摘要：

  A novel series of potent blockers of the monocarboxylate transporter, MCT1, is disclosed. From very potent but lipophilic lead compounds, systematic changes to all parts of the molecule, targeting reduction in log D, afforded compounds with significantly improved overall properties. These Compounds show potent immunomodulatory activity. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.024
• 作为产物：
  描述：

  3-methyl-1-(2-methylpropyl)-thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione 在 溴 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 6-bromo-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidin-2,4(1H,3H)-dione
  参考文献：
  名称：

  Thieno[2,3-d]pyrimidinediones and their use as pharmaceuticals

  摘要：

  这项发明提供了通式（I）中的噻吩[2,3-d]嘧啶二酮，其中R、R1、R2和R3如规范中定义，其生产方法，含有它们的药物组合物以及它们在治疗中的用途。

  公开号：

  US20040014634A1

文献信息

• Thieno[2,3-d]pyrimidinediones and their use as pharmaceuticals
  申请人：——

  公开号：US20040014634A1

  公开（公告）日：2004-01-22

  The invention provides thieno[2,3-d]pyrimidinediones of general formula (I), wherein R, R 1 , R 2 and R 3 are as defined in the specification, processes for their production, pharmaceutical compositions containing them and their use in therapy. 1

  这项发明提供了通式（I）中的噻吩[2,3-d]嘧啶二酮，其中R、R1、R2和R3如规范中定义，其生产方法，含有它们的药物组合物以及它们在治疗中的用途。
• Novel compounds
  申请人：——

  公开号：US20040122028A1

  公开（公告）日：2004-06-24

  The invention provides thieno[2,3-d]pyrimidinediones of general formula 1 wherein R, R 1 , R 2 and R 3 are as defined in the specification, processes for their production, pharmaceutical compositions containing them and their use in therapy.

  这项发明提供了一般式1中的噻吩[2,3-d]嘧啶二酮，其中R、R1、R2和R3如规范中所定义，以及它们的生产工艺、含有它们的药物组合物以及它们在治疗中的用途。
• Thieno[2,3-d]pyrimidine-2,4-diones
  申请人：AstraZeneca AB

  公开号：US06300334B1

  公开（公告）日：2001-10-09

  Compounds of formula (I): wherein R1, R2, and R3 are defined in the specification. The compounds are useful for treating or reducing the risk of reversible obstructive airways disease.

  式(I)的化合物：其中R1、R2和R3在说明书中有定义。这些化合物可用于治疗或减少可逆性阻塞性呼吸道疾病的风险。
• Compounds
  申请人：Ingall Anthony Howard

  公开号：US06890923B2

  公开（公告）日：2005-05-10

  A compound of formula or a pharmaceutically acceptable salt thereof, wherein R is —C(O)Ar 1 , —C(R 4 )(R 5 )Ar 1 or Ar 3 ; R 3 represents a group X—R 10 or Ar 2 ; X represents a bond or a group NR 11 ; and R 10 represents C 1-6 alkyl, C 2-6 alkenyl or C 2-6 alkynyl, each of which may be optionally substituted by one or more substituents independently selected from carboxyl, hydroxyl, —C(O)—R 12 , C 3-6 cycloalkyl, morpholinyl, —NR 13 R 14 , —SR 15 , —OR 16 , phenyl and halophenyl, or R 10 represents a C 3-6 cycloalkylcarbonyl, —C(O)CH 2 CN, halophenylcarbonyl or trifluoromethylcarbonyl group. The compounds or compositions thereof are useful in the treatment or prophylaxis of autoimmune, inflammatory, proliferative and hyperproliferative diseases.

  该化合物的分子式为或其药物可接受的盐，其中R为—C（O）Ar1，—C（R4）（R5）Ar1或Ar3；R3代表X—R10或Ar2基团；X代表键或NR11基团；R10代表C1-6烷基，C2-6烯基或C2-6炔基，每个基团都可以选择性地被一个或多个取代基独立地选自羧基，羟基，—C（O）—R12，C3-6环烷基，吗啉基，—NR13R14，—SR15，—OR16，苯基和卤代苯基，或R10代表C3-6环烷基羰基，—C（O）CH2CN，卤代苯基羰基或三氟甲基羰基基团。该化合物或其组成物在自身免疫性，炎症性，增生性和高增生性疾病的治疗或预防中有用。
• NOVEL COMPOUNDS
  申请人：AstraZeneca AB

  公开号：EP1107973A1

  公开（公告）日：2001-06-20