2-(3,4-dichlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno-[2,3-d]pyrimidine-6-carboxylic acid sodium salt | 917089-11-3

• 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: 2-(3,4-dichlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno-[2,3-d]pyrimidine-6-carboxylic acid sodium salt
• 英文别名: XI0J29LT6T；sodium;2-[(3,4-dichlorophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
• CAS: 917089-11-3
• 化学式: C₁₅H₉Cl₂N₂O₃S*Na
• 分子量: 391.21
• InChiKey: RJIOLXBAHFPELT-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.44
• 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：
  110
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(3,4-dichlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno-[2,3-d]pyrimidine-6-carboxylic acid sodium salt 、 sodium hydroxide 、 盐酸 在 水 作用下， 以 水 为溶剂， 反应 16.18h， 生成 2-(3,4-dichlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
  参考文献：
  名称：

  Crystal of 2-(3,4 dichlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothien[2,3-D]pyrimidine-6-carboxylic acid

  摘要：

  本发明提供了一种2-(3,4-二氯苯基)-5-甲基-4-氧代-3,4-二氢噻吩[2,3-d]嘧啶-6-羧酸的晶体（其化学结构如下所示）和包含这种晶体的混合晶体。该发明还提供了制备这种晶体的方法，包含这种晶体的制药组合物，以及通过给予晶体的有效量来调节磷酸二酯酶-9活性和治疗过度活跃膀胱综合症的方法。

  公开号：

  US08748437B2

文献信息

• TREATING AGENT OF UROPATHY
  申请人：Gotanda Kotaro

  公开号：US20100113484A1

  公开（公告）日：2010-05-06

  Disclosed is a treating agent of overactive bladder syndrome, pollakiuria, urinary incontinence, dysuria in benign prostatic hyperplasia or urolithiasis, which comprises a compound having PDE9-inhibiting activity as the active ingredient.

  本发明涉及一种治疗过度活跃膀胱综合症、排尿频繁、尿失禁、良性前列腺增生或泌尿结石引起的排尿困难的治疗剂，其包含一种具有PDE9抑制活性的化合物作为活性成分。
• THIENOPYRIMIDINE DERIVATIVES
  申请人：GOTANDA Kotaro

  公开号：US20130023546A1

  公开（公告）日：2013-01-24

  This invention provides thienopyrimidine derivatives of the formula, wherein R 1 stands for hydrogen atom, an alkyl group or the like; R 2 stands for a hydrogen atom, an alkyl or amino group or the like, R 3 stands for an alkyl, alkenyl or alkylthio group or the like or a group Y—X—; or R 2 and R 3 may together form tetramethylene group; X standing for a direct bond or linking group such as CH 2 , 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 0 or an integer of 1 to 4, 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.

  本发明提供了式子中的噻吩嘧啶衍生物，其中R1代表氢原子，烷基或类似物；R2代表氢原子，烷基或氨基基团或类似物，R3代表烷基，烯基或烷基硫基团或类似物或Y—X—基团；或者R2和R3可以形成四亚甲基基团；X代表直接键或连接基团，例如CH2，CH（OH），S，O，NH；Y代表取代或未取代的芳香环烷基，芳香杂环基，环烷基或饱和杂环基团或类似物；Z代表S或O，n为0或1到4的整数，或其盐。这些化合物在PDE9上具有抑制作用，因此可用于预防或治疗过度活动的膀胱综合症，尿频，尿失禁，前列腺增生症相关的排尿困难，泌尿结石，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。
• CRYSTAL OF THIENOPYRIMIDINE DERIVATIVE
  申请人：Hayashi Hiroyuki

  公开号：US20130123279A1

  公开（公告）日：2013-05-16

  Crystals are obtained by heating an aqueous suspension of 2-(3,4-dichlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid. Novel crystals are obtained by adjusting the heating temperature and/or duration.

  通过加热2-(3,4-二氯苯基)-5-甲基-4-氧代-3,4-二氢噻吩[2,3-d]嘧啶-6-羧酸的水悬浮液可以得到晶体。通过调整加热温度和/或时间可以得到新颖的晶体。
• Crystal of 2-(3,4 dichlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothien[2,3-D]pyrimidine-6-carboxylic acid
  申请人：Hayashi Hiroyuki

  公开号：US08748437B2

  公开（公告）日：2014-06-10

  The invention provides a crystal of 2-(3,4-dichlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid (which has the chemical structure shown below) and a mixed crystal comprising such a crystal. The invention also provides methods of producing such crystals, pharmaceutical compositions comprising such crystals, and methods of modulating phosphodiesterase-9 activity and treating disorders such as overactive bladder syndrome by administration of an effective amount of the crystals.

  本发明提供了一种2-(3,4-二氯苯基)-5-甲基-4-氧代-3,4-二氢噻吩[2,3-d]嘧啶-6-羧酸的晶体（其化学结构如下所示）和包含这种晶体的混合晶体。该发明还提供了制备这种晶体的方法，包含这种晶体的制药组合物，以及通过给予晶体的有效量来调节磷酸二酯酶-9活性和治疗过度活跃膀胱综合症的方法。
• Thienopyrimidine Derivatives
  申请人：Gotanda Kotaro

  公开号：US20090203703A1

  公开（公告）日：2009-08-13

  This invention provides thienopyrimidine derivatives of the formula, wherein R 1 stands for hydrogen atom, an alkyl group or the like; R 2 stands for a hydrogen atom, an alkyl or amino group or the like, R 3 stands for an alkyl, alkenyl or alkylthio group or the like or a group Y—X—; or R 2 and R 3 may together form tetramethylene group; X standing for a direct bond or linking group such as CH 2 , 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 0 or an integer of 1 to 4, 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.

  该发明提供了式子中的噻吩嘧啶衍生物，其中R1代表氢原子、烷基或类似基团；R2代表氢原子、烷基或氨基等基团，R3代表烷基、烯基或烷硫基等基团或Y—X—基团；或R2和R3可以共同形成四亚甲基基团；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烷基、芳香杂环基、环烷基或饱和杂环基等基团；Z代表S或O，n为0或1至4的整数，或其盐。这些衍生物对PDE9具有抑制作用，因此可用于预防或治疗过度活跃的膀胱综合症、尿频、尿失禁、前列腺增生引起的排尿困难、泌尿结石、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。