(2S)-2-[[4-[2-[(6R)-2-amino-4-oxo-4a,5,6,7,8,8a-hexahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl]amino]pentanedioic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S)-2-[[4-[2-[(6R)-2-amino-4-oxo-4a,5,6,7,8,8a-hexahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl]amino]pentanedioic acid
• 化学式: C₂₁H₂₇N₅O₆
• 分子量: 445.5
• InChiKey: POWPDDSOTQFVJB-RDAFDQFTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.7
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  183
• 氢给体数：
  6
• 氢受体数：
  8

文献信息

• Mutant genes related to drug resistance and relapse of acute lymphoblastic leukaemia and a use thereof
  申请人：SHANGHAI CHILDREN'S MEDICAL CENTER, SHANGHAI JIAO TONG UNIVERSITY SCHOOL OF MEDICAL

  公开号：US11021753B2

  公开（公告）日：2021-06-01

  This disclosure provides mutant genes related to drug resistance and relapse of acute lymphoblastic leukaemia (ALL) and a use thereof, treatment or prevention of drug resistance and relapse of ALL and a use thereof, a use of compound Lometrexol and related inhibitors targeting GART and AITC in prevention and treatment of drug resistance and relapse of ALL, and a kit for evaluation of the risk of drug resistance and relapse of ALL. The mutation gene is a mutant gene of PRPS1. The drug acts on enzymes in purine synthesis pathway and reduces drug resistance and relapse by decreasing the concentration of hypoxanthine. The kit comprises reagents for lysis of sample cells and an instruction. The invention provides a powerful technical means and support for the prevention and treatment of drug resistance and relapse of ALL.

  本公开提供了与急性淋巴细胞白血病（ALL）耐药性和复发有关的突变基因及其用途、ALL 耐药性和复发的治疗或预防及其用途、化合物 Lometrexol 和靶向 GART 和 AITC 的相关抑制剂在预防和治疗 ALL 耐药性和复发中的用途，以及用于评估 ALL 耐药性和复发风险的试剂盒。突变基因是 PRPS1 的突变基因。该药物作用于嘌呤合成途径中的酶，通过降低次黄嘌呤的浓度来减少耐药性和复发。试剂盒包括用于裂解样本细胞的试剂和说明书。本发明为预防和治疗 ALL 的耐药性和复发提供了强有力的技术手段和支持。