[(S)-7-fluoro-8-((R)-3-methylmorpholin-4-yl)-6-oxo-2-trifluoromethyl-3,4-dihydro-2H,6H-pyrimido[1,2-a]pyrimidin-1-yl]acetic acid methyl ester | 1523410-54-9

• 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: [(S)-7-fluoro-8-((R)-3-methylmorpholin-4-yl)-6-oxo-2-trifluoromethyl-3,4-dihydro-2H,6H-pyrimido[1,2-a]pyrimidin-1-yl]acetic acid methyl ester
• 英文别名: methyl 2-[(8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-oxo-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-9-yl]acetate
• CAS: 1523410-54-9
• 化学式: C₁₆H₂₀F₄N₄O₄
• 分子量: 408.353
• InChiKey: DUKMEMKMUJLMTD-ZJUUUORDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  74.7
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  [(S)-7-fluoro-8-((R)-3-methylmorpholin-4-yl)-6-oxo-2-trifluoromethyl-3,4-dihydro-2H,6H-pyrimido[1,2-a]pyrimidin-1-yl]acetic acid methyl ester 在 甲醇 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (S)-3-fluoro-2-((R)-3-methylmorpholin-4-yl)-9-[2-(2-oxa-6-azaspiro[3.3]hept-6-yl)-2-oxoethyl]-8-trifluoromethyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
  参考文献：
  名称：

  [EN] NOVEL 2,3-DIHYDRO-1H-IMIDAZO{1,2-a}PYRIMIDIN-5-ONE and this1,2,3,4-TETRAHYDROPYRIMIDO{1,2-a}PYRIMIDIN-6-ONE DERIVATIVES COMPRISING A SUBSTITUTED MORPHOLINE, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF
  [FR] NOUVEAUX DÉRIVÉS DE 2,3-DIHYDRO-1H-IMIDAZO{1,2-A}PYRIMIDIN-5-ONE ET DE 1,2,3,4-TÉTRAHYDROPYRIMIDO{1,2-A}PYRIMIDIN-6-ONE COMPRENANT UNE MORPHOLINE SUBSTITUÉE, LEUR PROCÉDÉ DE PRÉPARATION ET LEUR UTILISATION PHARMACEUTIQUE

  摘要：

  公开号：

  WO2013190510A3

文献信息

• 2,3-dihydro-1H-imidazo{1,2-a}pyrimidin-5-one and this 1,2,3,4-tetrahydropyrimido{1,2-a}pyrimidin-6-one derivatives comprising a substituted morpholine, preparation thereof and pharmaceutical use thereof
  申请人：SANOFI

  公开号：US10253043B2

  公开（公告）日：2019-04-09

  The invention relates to the novel products of formula (I) with p, q=0, 1 or 2; R1=phenyl, pyridyl; —(CH2)m—Ra; alkylene; cycloalkyl; heterocycloalkyl; alkyl; —SO2 —Rb; —CO—Re; m=1 or 2; Ra=aryl, heteroaryl, —CO-cycloalkyl, —CO-heterocycloalkyl, —CO—Rb, —C(Rb)═N—ORc, —CO 2 Rd, —CONRxRy; Rb=alkyl, aryl, heteroaryl; Rc=H, alkyl; Rd=alkyl, cycloalkyl; Re=alkyl, cycloalkyl, aryl, heteroaryl; NRxRy with Rx,Ry=H, alkyl, cycloalkyl, alkoxy, phenyl, or form with N a ring with optionally O, N; R2, R3=H, alkyl, CF 3, or form with C a ring with optionally O, S and N; R4=H, F, Cl, CH3 or CN; the morpholine is substituted with Me, and optionally substituted with F, OH; or is (Formula 1a) and the isomer of configuration R,R (Formula 1b) these products being in all the isomer forms and the salts, as medicaments, in particular as anticancer medicaments.

  本发明涉及式（I）的新型产品，其中 p、q=0、1 或 2；R1=苯基、吡啶基；-(CH2)m-Ra；亚烷基；环烷基；杂环烷基；烷基；-SO2 -Rb；-CO-Re；m=1 或 2；Ra=芳基、杂芳基、-CO-环烷基、-CO-杂环烷基、-CO-Rb、-C(Rb)═N-ORC、-CO 2 Rd、-CONRxRy；Rb=烷基、芳基、杂芳基；Rc=H、烷基；Rd=烷基、环烷基；Re=烷基、环烷基、芳基、杂芳基；NRxRy，其中 Rx、Ry=H、烷基、环烷基、烷氧基、苯基，或与 N 形成可选 O、N 的环；R2、R3=H、烷基、CF 3，或与 C 形成可选 O、S 和 N 的环；R4=H、F、Cl、CH3 或 CN；吗啉被 Me 取代，并可选被 F、OH 取代；或者是（式 1a）和构型为 R,R 的异构体（式 1b），这些产品以所有异构体形式和盐类作为药物，特别是抗癌药物。
• Novel 2,3-Dihydro-1h-imidazo{1,2-a}pyrimidin-5-one and this 1,2,3,4-tetrahydropyrimido{1,2-a}pyrimidin-6-one Derivatives Comprising a Substituted Morpholine, Preparation Thereof and Pharmaceutical Use Thereof
  申请人：SANOFI

  公开号：US20190292205A1

  公开（公告）日：2019-09-26

  The invention relates to the novel products of formula (I): with p, q=0, 1 or 2; R1=phenyl, pyridyl; —(CH 2 ) m —Ra; alkylene; cycloalkyl; heterocycloalkyl; alkyl; —SO 2 —Rb; —CO—Re; m=1 or 2; Ra=aryl, heteroaryl, —CO-cycloalkyl, —CO-heterocycloalkyl, —CO—Rb, —C(Rb)═N—ORc, —CO 2 Rd, —CONRxRy; Rb=alkyl, aryl, heteroaryl; Rc=H, alkyl; Rd=alkyl, cycloalkyl; Re=alkyl, cycloalkyl, aryl, heteroaryl; NRxRy with Rx,Ry=H, alkyl, cycloalkyl, alkoxy, phenyl, or form with N a ring with optionally O, N; R2, R3=H, alkyl, CF 3 , or form with C a ring with optionally O, S and N; R4=H, F, Cl, CH 3 or CN; the morpholine is substituted with Me, and optionally substituted with F, OH; or is and the isomer of configuration R,R these products being in all the isomer forms and the salts, as medicaments, in particular as anticancer medicaments.