(3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyldihydrogen phosphate | 143838-77-1

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷酸
• 英文名称: (3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyldihydrogen phosphate
• 英文别名: Thymidine-5'-phosphate；NSC 46713；W 46713；dTMP；5'-dTMP；[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
• CAS: 143838-77-1
• 化学式: C₁₀H₁₅N₂O₈P
• 分子量: 322.211
• InChiKey: GYOZYWVXFNDGLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  146
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• Allosteric inhibitors of thymidylate synthase
  申请人：UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED

  公开号：US10420761B2

  公开（公告）日：2019-09-24

  The current invention is directed to a class of compounds that inhibit the function of Thymidylate synthase. Thymidylate synthase inhibition was noted to result in inhibition of tumor cell grow and killing of tumor cells. Thymidylate synthase inhibition is, thus, useful for treatment of various types of cancers, including but not limited to, acute lymphoblatic leukemia (ALL), acute myelogenous leukemia (AML), acute promyelocytic leukemia, chronic lymphocytic leukemia (CLL), chronic myelogenous leukemia (CML), acute monocytic leukemia (AMOL), hairy cell leukemia, large cell immunoblastic lymphoma, plasmacytoma, multiple myeloma, Hodgkin's lymphoma, non-Hodgkin's lymphoma, leukemia, brain cancer, lung cancer, central nervous system (CNS) cancer, melanoma, renal cancer, prostate cancer, colon cancer, ovarian cancer and breast cancer. The compounds disclosed herein can be used alone or in combination with other cancer treatment regimens (e.g., radiation therapy and/or other chemotherapeutic agents that are administered to a subject having a tumor, cancer or neoplasia).

  本发明涉及一类抑制胸苷酸合成酶功能的化合物。据指出，抑制胸腺苷酸合成酶可抑制肿瘤细胞生长并杀死肿瘤细胞。因此，胸苷酸合成酶抑制剂可用于治疗各种类型的癌症，包括但不限于急性淋巴细胞白血病（ALL）、急性髓性白血病（AML）、急性早幼粒细胞白血病、慢性淋巴细胞白血病（CLL）、慢性髓性白血病（CML）、急性单核细胞白血病（AMOL）、毛细胞白血病、大细胞免疫母细胞淋巴瘤、浆细胞瘤、多发性骨髓瘤、霍奇金淋巴瘤、非霍奇金淋巴瘤、白血病、脑癌、肺癌、中枢神经系统（CNS）癌、黑色素瘤、肾癌、前列腺癌、结肠癌、卵巢癌和乳腺癌。本文公开的化合物可单独使用，也可与其他癌症治疗方案（如对患有肿瘤、癌症或新生物的受试者施用的放射治疗和/或其他化疗药物）联合使用。
• NOVEL ALLOSTERIC INHIBITORS OF THYMIDYLATE SYNTHASE
  申请人：UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INCORPORATED

  公开号：US20160067240A1

  公开（公告）日：2016-03-10

  The current invention is directed to a class of compounds that inhibit the function of Thymidylate synthase. Thymidylate synthase inhibition was noted to result in inhibition of tumor cell grow and killing of tumor cells. Thymidylate synthase inhibition is, thus, useful for treatment of various types of cancers, including but not limited to, acute lymphoblatic leukemia (ALL), acute myelogenous leukemia (AML), acute promyelocytic leukemia, chronic lymphocytic leukemia (CLL), chronic myelogenous leukemia (CML), acute monocytic leukemia (AMOL), hairy cell leukemia, large cell immunoblastic lymphoma, plasmacytoma, multiple myeloma, Hodgkin's lymphoma, non-Hodgkin's lymphoma, leukemia, brain cancer, lung cancer, central nervous system (CNS) cancer, melanoma, renal cancer, prostate cancer, colon cancer, ovarian cancer and breast cancer. The compounds disclosed herein can be used alone or in combination with other cancer treatment regimens (e.g., radiation therapy and/or other chemotherapeutic agents that are administered to a subject having a tumor, cancer or neoplasia).
• MATE AND SEPARATE: A CONVENIENT AND GENERAL METHOD FOR THE SEPARATION AND PURIFICATION OF TARGET MOLECULES FROM BIOLOGICAL MEDIA BY PHASE TRANSITION OF PEGYLATED RECOGNITION AGENTS.
  申请人：KARIMIAN Khashayar

  公开号：US20220411463A1

  公开（公告）日：2022-12-29

  Biological small molecules, proteins or nucleic acids (target molecules, TM) are isolated in from biological media such as blood serum, cytoplasm, nucleoplasm etc. by a novel process (mate and separate) involving the use of PEGylated recognition molecule (PEG-RM) with high specificity and binding for TM, affording a macromolecular complex PEG-RM.TM, from which the target protein can be obtained in pure form.
• [EN] MATE AND SEPARATE: A CONVENIENT AND GENERAL METHOD FOR THE SEPARATION AND PURIFICATION OF TARGET MOLECULES FROM BIOLOGICAL MEDIA BY PHASE TRANSITION OF PEGYLATED RECOGNITION AGENTS.<br/>[FR] ACCOUPLEMENT ET SÉPARATION : PROCÉDÉ COMMODE ET GÉNÉRAL POUR LA SÉPARATION ET LA PURIFICATION DE MOLÉCULES CIBLES À PARTIR DE MILIEUX BIOLOGIQUES PAR TRANSITION DE PHASE D'AGENTS DE RECONNAISSANCE PÉGYLÉS
  申请人：KARIMIAN KHASHAYAR

  公开号：WO2020188323A1

  公开（公告）日：2020-09-24

  Biological small molecules, proteins or nucleic acids (target molecules, TM) are isolated in from biological media such as blood serum, cytoplasm, nucleoplasm etc. by a novel process (mate and separate) involving the use of PEGylated recognition molecule (PEG-RM) with high specificity and binding for TM, affording a macromolecular complex PEG-RM.TM, from which the target protein can be obtained in pure form.