2-(3-benzoylthioureido)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid | 1373497-00-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡喃类
• 英文名称: 2-(3-benzoylthioureido)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
• 英文别名: 2-(benzoylcarbamothioylamino)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
• CAS: 1373497-00-7
• 化学式: C₁₇H₁₆N₂O₄S₂
• 分子量: 376.457
• InChiKey: UJFUDRXBOPWUEV-UHFFFAOYSA-N

物化性质

• 密度：
  1.456±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  148
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-氧代环戊烷甲酸乙酯 在 硫化氢 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 、 乙酸乙酯 、 乙腈 为溶剂， 生成 2-(3-benzoylthioureido)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
  参考文献：
  名称：

  Rab7 GTPase inhibitors and related methods of treatment

  摘要：

  这项发明涉及化合物及其作为Rab7 GTP酶的抑制剂或激活剂的用途，用于治疗或预防Rab 7 GTP酶相关疾病的发作，如神经病变、癌症、骨代谢疾病和脂质储存疾病。该发明还适用于Rab7被灭活或其蛋白质-蛋白质相互作用被调节以促进病原体细胞内存活的传染病。所描述的化合物作为核苷酸结合的竞争性抑制剂，因此还可作为靶向其他小GTP酶的支架。在一个方面，该发明的治疗方法被用于治疗或预防遗传性感觉神经病变，如沙尔科-玛丽-图特2B型疾病的发作。还提供相关的药物组合物、分析和药物筛选。

  公开号：

  US08765803B1

文献信息

• Rab7 GTPase Inhibitors and Related Methods of Treatment
  申请人：Wandinger-Ness Angela

  公开号：US20140248268A1

  公开（公告）日：2014-09-04

  This invention relates to compounds and their use as inhibitors or activators of Rab7 GTPase to treat or prevent the onset of Rab 7 GTPase-associated disorders such as neuropathies, cancer, metabolic diseases of bone and lipid storage. The invention is also applicable to infectious diseases where Rab7 is inactivated or its protein-protein interactions are modulated to facilitate intracellular survival of pathogens. The compound described acts as a competitive inhibitor of nucleotide binding and as such also has utility as a scaffold for targeting other small GTPases. In one aspect, methods of treatment of the invention are used to treat or prevent the onset of hereditary sensory neuropathies such as Charcot-Marie-Tooth type 2B disease. Related pharmaceutical compositions, assays, and drug screens are also provided.

  本发明涉及化合物及其作为Rab7 GTP酶抑制剂或激活剂的用途，以治疗或预防Rab 7 GTP酶相关疾病，如神经病变、癌症、骨代谢疾病和脂质储存病。该发明还适用于Rab7被失活或其蛋白质-蛋白质相互作用被调节以促进病原体的细胞内生存的感染性疾病。所述化合物作为核苷酸结合的竞争性抑制剂，并且也具有作为靶向其他小GTP酶的支架的效用。在一个方面，本发明的治疗方法用于治疗或预防遗传性感觉神经病变，如Charcot-Marie-Tooth 2B病。还提供相关的制药组合物、测定和药物筛选。
• US8765803B1
  申请人：——

  公开号：US8765803B1

  公开（公告）日：2014-07-01
• US9376452B2
  申请人：——

  公开号：US9376452B2

  公开（公告）日：2016-06-28
• Rab7 GTPase inhibitors and related methods of treatment
  申请人：Wandinger-Ness Angela

  公开号：US08765803B1

  公开（公告）日：2014-07-01

  This invention relates to compounds and their use as inhibitors or activators of Rab7 GTPase to treat or prevent the onset of Rab 7 GTPase-associated disorders such as neuropathies, cancer, metabolic diseases of bone and lipid storage. The invention is also applicable to infectious diseases where Rab7 is inactivated or its protein-protein interactions are modulated to facilitate intracellular survival of pathogens. The compound described acts as a competitive inhibitor of nucleotide binding and as such also has utility as a scaffold for targeting other small GTPases. In one aspect, methods of treatment of the invention are used to treat or prevent the onset of hereditary sensory neuropathies such as Charcot-Marie-Tooth type 2B disease. Related pharmaceutical compositions, assays, and drug screens are also provided.

  这项发明涉及化合物及其作为Rab7 GTP酶的抑制剂或激活剂的用途，用于治疗或预防Rab 7 GTP酶相关疾病的发作，如神经病变、癌症、骨代谢疾病和脂质储存疾病。该发明还适用于Rab7被灭活或其蛋白质-蛋白质相互作用被调节以促进病原体细胞内存活的传染病。所描述的化合物作为核苷酸结合的竞争性抑制剂，因此还可作为靶向其他小GTP酶的支架。在一个方面，该发明的治疗方法被用于治疗或预防遗传性感觉神经病变，如沙尔科-玛丽-图特2B型疾病的发作。还提供相关的药物组合物、分析和药物筛选。