thiophene-2-carboxylic acid 2-((8-hydroxy-4-oxo-2-thiohen-2-yl)-4H-benzo[4,5]thieno[2,3-d]pyrimidin-3-yl)-ethyl ester | 845514-13-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: thiophene-2-carboxylic acid 2-((8-hydroxy-4-oxo-2-thiohen-2-yl)-4H-benzo[4,5]thieno[2,3-d]pyrimidin-3-yl)-ethyl ester
• 英文别名: 2-(8-Hydroxy-4-oxo-2-thiophen-2-yl-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethyl thiophene-2-carboxylate
• CAS: 845514-13-8
• 化学式: C₂₁H₁₄N₂O₄S₃
• 分子量: 454.551
• InChiKey: BLRNHMUGGSGEFC-UHFFFAOYSA-N

物化性质

• 沸点：
  709.7±70.0 °C(predicted)
• 密度：
  1.59±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  164
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Novel compounds and their use in therapy
  申请人：Hirvelae Leena

  公开号：US20050176742A1

  公开（公告）日：2005-08-11

  Thiophenepyrimidinone compounds and their use in therapy, especially for use in the treatment and/or prevention of a steroid hormone dependent diseases or disorders, such as steroid hormone dependent diseases or disorders requiring inhibition of 17β-hydroxysteroid dehydrogenase enzymes.

  硫代嘧啶酮化合物及其在治疗中的应用，特别是用于治疗和/或预防类固醇激素依赖性疾病或紊乱，如需要抑制17β-羟基类固醇脱氢酶酶的类固醇激素依赖性疾病或紊乱。
• BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY
  申请人：Solvay Pharmaceuticals B.V.

  公开号：EP1635839A2

  公开（公告）日：2006-03-22
• US7465739B2
  申请人：——

  公开号：US7465739B2

  公开（公告）日：2008-12-16
• US7524853B2
  申请人：——

  公开号：US7524853B2

  公开（公告）日：2009-04-28
• [EN] NOVEL COMPOUNDS AND THEIR USE IN THERAPY<br/>[FR] NOUVEAUX COMPOSÉS ET LEUR UTILISATION EN THÉRAPIE
  申请人：SOLVAY PHARM BV

  公开号：WO2005032527A2

  公开（公告）日：2005-04-14

  This invention relates to benzo (4, 5) thieno (2, 3-d) pyrimidin-4-one compounds, their 5,6-dihydro and 5, 6, 7, 8-tetrahydro derivatives and their use for the treatment of a steroid hormone dependent disease or disorder, preferably for a steroid hormone dependent disease or disorder requiring the inhibition of a 17-hydroxysteroid dehydrogenase enzyme, most preferably of the 17beta HSD type 1, type 2 or type 3 enzyme. The steroid hormone dependent disease of disorder is selected from the group consisting of breast cancer, prostate carcinoma, ovarioan cancer, uterine cancer, endometrial cancer and endometrial hyperplasia, endometriosis, uterine fibroids, uterine leiomyoma, adenomyosis, dysmenorrhea, menorrhagia, metrorrhagia, prostadynia, benign prostatic hyperplasia, prostatitis, acne, seborrhea, hirsutism, androgenic alopecia, precocious puberty, adrenal hyperplasia, polycystic ovarian syndrome, urinary dysfunction, osteoporosis, multiple sclerosis, rheumatoid arthritis, Alzheimer’s disease, colon cancer, tissue wounds, skin wrinkles and cataracts.