5-(1-Hydroxy-1-methylethyl)-3-[2-chloro-5-(3,4-dihydro-quinolin-1(2H)-ylsulfonyl)phenyl]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione | 935281-12-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5-(1-Hydroxy-1-methylethyl)-3-[2-chloro-5-(3,4-dihydro-quinolin-1(2H)-ylsulfonyl)phenyl]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione
• 英文别名: 3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(2-hydroxypropan-2-yl)-1H-thieno[3,4-d]pyrimidine-2,4-dione
• CAS: 935281-12-2
• 化学式: C₂₄H₂₂ClN₃O₅S₂
• 分子量: 532.041
• InChiKey: ZRRPQGYXVCJZGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  144
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  甲基碘化镁 、 Methyl 3-[2-chloro-5-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)phenyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-5-carboxylate 在 水 、 氯化铵 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 生成 5-(1-Hydroxy-1-methylethyl)-3-[2-chloro-5-(3,4-dihydro-quinolin-1(2H)-ylsulfonyl)phenyl]thieno[3,4-d]pyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF

  摘要：

  公开号：

  EP1939204B3

文献信息

• COMPOSITIONS AND METHODS FOR THE TREATMENT OF ADENOMYOSIS AND RECTOVAGINAL ENDOMETRIOSIS
  申请人：ObsEva S.A.

  公开号：US20220117969A1

  公开（公告）日：2022-04-21

  The present disclosure provides compositions and methods for treating endometrial growth disorders in a patient, such as a human patient, and particularly pre-menopausal female human patients. Exemplary disorders that may be treated using the compounds and therapeutic regimens described herein include adenomyosis and rectovaginal endometriosis. The compounds described herein that may be used to treat such indications include gonadotropin-releasing hormone (GnRH) antagonists. Suitable GnRH antagonists useful in conjunction with the compositions and methods described herein include thieno[3,4d]pyrimidine derivatives, such as 3-[2-fluoro-5-(2,3-difluoro-6-methoxybenzyloxy)4-methoxyphenyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno [3,4d]pyrimidine-5-carboxylic acid and the choline salt thereof, among others.
• US9040693B2
  申请人：——

  公开号：US9040693B2

  公开（公告）日：2015-05-26
• FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP1939204B3

  公开（公告）日：2022-08-24