pentyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 5'-脱氧核糖核苷
• 英文名称: pentyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
• 化学式: C₁₅H₂₂FN₃O₆
• 分子量: 359.35
• InChiKey: GAGWJHPBXLXJQN-JXDRLYBSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  121
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• [EN] SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF<br/>[FR] PETITES MOLÉCULES INHIBITRICES DE MCL-1 ET LEURS UTILISATIONS
  申请人：UNIV MICHIGAN REGENTS

  公开号：WO2016172218A1

  公开（公告）日：2016-10-27

  This invention is in the field of medicinal chemistry. In particular, the invention relates to a new class of small-molecules having benzoic acid structure which function as inhibitors of Mcl-1 protein, and their use as therapeutics for the treatment of cancer and other diseases.

  这项发明属于药物化学领域。具体来说，该发明涉及一类具有苯甲酸结构的新型小分子，其作为Mcl-1蛋白的抑制剂，并且它们作为治疗癌症和其他疾病的药物的用途。
• SPIRO-OXINDOLE MDM2 ANTAGONISTS
  申请人：Wang Shaomeng

  公开号：US20120122947A1

  公开（公告）日：2012-05-17

  Provided herein are compounds, compositions, and methods in the field of medicinal chemistry. The compounds and compositions provided herein relate to spiro-oxindoles which function as antagonists of the interaction between p53 and MDM2, and their use as therapeutics for the treatment of cancer and other diseases.

  本文提供了关于药物化学领域的化合物、组合物和方法。这里提供的化合物和组合物涉及螺环氧吲哚，其作为p53和MDM2相互作用的拮抗剂，并且它们作为治疗癌症和其他疾病的药物的用途。
• DIAZO BICYCLIC SMAC MIMETICS AND THE USES THEREOF
  申请人：Wang Shaomeng

  公开号：US20100273812A1

  公开（公告）日：2010-10-28

  The invention relates to diazo bicyclic mimetics of Smac which function as inhibitors of Inhibitor of Apoptosis Proteins. The invention also relates to the use of these mimetics for inducing apoptotic cell death and for sensitizing cells to inducers of apoptosis.

  该发明涉及一种Smac的重氮双环模拟物，其作为细胞凋亡抑制蛋白抑制剂。该发明还涉及利用这些模拟物诱导细胞凋亡死亡以及使细胞对凋亡诱导剂敏感的用途。
• [EN] CYCLIC SULPHINYL ESTERS OF CYTIDINE<br/>[FR] ESTERS SULFINYLE CYCLIQUES DE CYTIDINE
  申请人：GENERICS UK LTD

  公开号：WO2011067588A1

  公开（公告）日：2011-06-09

  The present invention relates to novel intermediates and to an improved process for the preparation of N- functionalised cytidine derivatives such as capecitabine, galocitabine and sapacitabine. Said intermediates are se from a copound of formula (A- 2), (A-3), (A-6), (A-7). wherein: R1 and R3 arc each independendy selected from hydrogen, -F, -CI, -Br, -I, -CN, -NO2, -N3, -O-R7, -S-R7, -N(R7)2, -N(R7)3+ or -0-Si(R7)3; R4 and R5 arc each independendy selected from hydrogen, -F, -CI, -Br and -I; R6 is selected from an alkyl, alkenyl, alkynyl, atyl, aiylalkyl, arylalkenyl, arylalkynyl, alkylaiyl, alkenylaryl or alkynylaryl group, each of which may optionally be substituted, and each of which may optionally include one or more heteroatoms N, O or S in its carbon skeleton; and each R7 is independendy selected from hydrogen, or an alkyl, alkenyl, alkynyl, atyl, aiylalkyl, arylalkenyl, arylalkynyl, alkylaiyl, alkenylaryl or alkynylaryl group, each of which may optionally he substituted, and each of which may optionally include one or more heteroatoms N, O or S in its carbon skeleton, and wherein any two or more R7 groups may, together with rhe atom or atoms to which they are attached, form a cyclic alkyl, alkenyl, alkynyl, aryl, aiylalkyl, arylalkcnyl, arylalkynyl, alkylaiyl, alkenylaryl or alkynylaryl group, each of which may optionally be substituted, and each of which may optionally include one or more heteroatoms N, O or S in its carbon skeleton.

  本发明涉及新型中间体和改进的制备N-功能化胞嘧啶衍生物（如卡培他滨，加洛他滨和萨帕他滨）的过程。所述中间体是从化合物（A-2），（A-3），（A-6），（A-7）中选择的。其中：R1和R3各自独立地选自氢，-F，-CI，-Br，-I，-CN，-NO2，-N3，-O-R7，-S-R7，-N（R7）2，-N（R7）3+或-0-Si（R7）3; R4和R5各自独立地选自氢，-F，-CI，-Br和-I; R6选自烷基，烯烃基，炔基，芳基，取代的芳基烷基，取代的芳基烯烃基，取代的芳基炔基，烷基芳基，烯烃基芳基或炔基芳基基团，其中每个基团可以选择性地被取代，并且每个基团可以选择性地包含一个或多个N，O或S杂原子在其碳骨架中; 每个R7独立地选自氢，或烷基，烯烃基，炔基，芳基，取代的芳基烷基，取代的芳基烯烃基，取代的芳基炔基，烷基芳基，烯烃基芳基或炔基芳基基团，其中每个基团可以选择性地被取代，并且每个基团可以选择性地包含一个或多个N，O或S杂原子在其碳骨架中，任何两个或多个R7基团可以与它们附着的原子一起形成环烷基，烯烃基，炔基，芳基，取代的芳基烷基，取代的芳基烯烃基，取代的芳基炔基，烷基芳基，烯烃基芳基或炔基芳基基团，其中每个基团可以选择性地被取代，并且每个基团可以选择性地包含一个或多个N，O或S杂原子在其碳骨架中。
• PROCESSES RELATED TO MAKING CAPECITABINE
  申请人：Ettema Gerrit J. B.

  公开号：US20080300399A1

  公开（公告）日：2008-12-04

  An intermediate (2) useful in making capecitabine can be formed without the use, or presence, of a silylation agent.

  在制备开埃替宾时，可以在不使用硅烷化剂或有其存在的情况下形成一种中间体（2）。