4-oxo-2-(3-trifluoromethylbenzyl)-3,4-dihydrothieno[3,2-d]pyrimidine-6-carboxylic acid | 1354633-90-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-oxo-2-(3-trifluoromethylbenzyl)-3,4-dihydrothieno[3,2-d]pyrimidine-6-carboxylic acid
• 英文别名: 4-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid
• CAS: 1354633-90-1
• 化学式: C₁₅H₉F₃N₂O₃S
• 分子量: 354.309
• InChiKey: YTNNOYDUCUGELC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• [EN] THIENOPYRIMIDINE COMPOUNDS<br/>[FR] COMPOSÉS THIÉNOPYRIMIDINES
  申请人：ASKA PHARM CO LTD

  公开号：WO2012004900A1

  公开（公告）日：2012-01-12

  This invention provides thienopyrimidine compounds of the formula, (I) wherein R1 stands for hydrogen atom, an alkyl group or the like, and R1 is attached to either A1 or A2; R2 stands for a hydrogen atom, an alkyl or amino group or the like, R3 stands for an alkyl, alkenyl or alkylthio group or the like or a group Y-X-; or R2 and R3 may together form tetramethylene group; R4 stands for carboxylic acid, alkylsulfonylaminocarbonyl group or the like; X standing for a direct bond or linking group such as CH2, CH(OH), S, O, NH; Y standing for a substituted or unsubstituted aromatic carbocycylic, aromatic heterocylic, cycloalkyl or saturated heterocyclic group or the like; Z stands for S or O, and n is O or an integer of 1 to 4; one of A1 and A2 stands for carbon atom and the other stands for sulfur atom, or salts thereof, which exhibit an inhibitory effect on PDE9, and are therefore useful for prevention or treatment of overactive bladder syndrome, pollakiuria, urinary incontinence, dysuria associated with prostatic hyperplasia, urolithiasis, Alzheimer's disease, chronic obstructive pulmonary disease, myocardial infarction, thrombosis, diabetes and the like.

  这项发明提供了式（I）的噻吡嘧啶化合物，其中R1代表氢原子、烷基或类似物，且R1连接到A1或A2中的任一者；R2代表氢原子、烷基或氨基等，R3代表烷基、烯基、烷基硫基或类似物，或者是一个Y-X-基团；或者R2和R3可以共同形成四亚甲基基团；R4代表羧酸、烷基磺酰氨基甲酰基团或类似物；X代表直接键或连接基团，如CH2、CH(OH)、S、O、NH；Y代表取代或未取代的芳香环烃、芳香杂环烃、环烷基或饱和杂环基团等；Z代表S或O，n为O或1到4的整数；A1和A2中的一个代表碳原子，另一个代表硫原子，或其盐，它们表现出对PDE9的抑制作用，因此对于预防或治疗膀胱过度活动综合征、尿频、尿失禁、与前列腺增生相关的排尿困难、尿路结石、阿尔茨海默病、慢性阻塞性肺疾病、心肌梗死、血栓形成、糖尿病等疾病是有用的。