benzyl N-[6-acetamido-1-[[1-[(2R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-1-oxohexan-2-yl]carbamate

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: benzyl N-[6-acetamido-1-[[1-[(2R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-1-oxohexan-2-yl]carbamate
• 化学式: C₂₅H₃₁F₂N₅O₈
• 分子量: 567.5
• InChiKey: JDIKZGFYEOUZHK-LPWHEFQBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  40
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  179
• 氢给体数：
  5
• 氢受体数：
  10

文献信息

• NOVEL PRODRUGS FOR SELECTIVE ANTICANCER THERAPY
  申请人：Ueki Nobuhide

  公开号：US20150224208A1

  公开（公告）日：2015-08-13

  The present invention provides a compound having the structure: wherein X is a therapeutic agent containing at least one amine nitogen and the amine nitrogen on the therapeutic agent covalently bonds directly to carbon α; Z is CH 3 or CF 3 ; R 1 is —H, —NR 2 R 3 , —NH—C(═O)—R 4 , —NH—C(═O)—OR 4 , —CH 2 —C(═O)—NR 5 R 6 , —OR 7 , —CO 2 R 7 , C 1-6 alkyl, C 2-6 alkenyl, C 2-6 alkynyl, aryl, or heteroaryl, wherein R 2 , R 3 , R 4 , R 5 , R 6 and R 7 are each, independently, —H, C 1-6 alkyl, C 2-6 alkenyl, C 2-6 alkynyl, heteroalkyl, cycloalkyl, heterocyclyl, aryl, alkylaryl, heteroaryl, alkylheteroaryl, an amino acid or an oligopeptide; wherein an amine of the amino acid or oligopeptide is substituted or unsubstituted; and n is an integer from 0 to 6; or a diastereomer, enantiomer or pharmaceutically acceptable salt of the compound.
• CANCER CELL SPECIFIC IMAGING PROBES AND METHODS OF USE
  申请人：THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK

  公开号：US20160184459A1

  公开（公告）日：2016-06-30

  The present invention provides a compound having the structure: wherein X is an imaging agent containing at least one amine nitrogen; Y is a chemical linker, wherein Y is present or absent, and when present Y is a chemical linker containing at least one amine nitrogen or Y is a para-aminobenzyl alcohol linker; Z is CH 3 or CF 3 ; R 1 is —H, —NR 2 R 3 , —NH—C(═O)—R 4 , —NH—C(═O)—OR 4 , —CH 2 —C(═O)—NR 5 R 6 , —OR 7 , —CO 2 R 7 , C 1-6 alkyl, C 2-6 alkenyl, C 2-6 alkynyl, aryl, or heteroaryl, wherein R 2 , R 3 , R 4 , R 5 , R 6 and R 7 are each, independently, —H, C 1-6 alkyl, C 2-6 alkenyl, C 2-6 alkynyl, heteroalkyl, cycloalkyl, heterocyclyl, aryl, alkylaryl, heteroaryl, alkylheteroaryl, an amino acid or an oligopeptide; wherein an amine of the amino acid or oligopeptide is substituted or unsubstituted; and n is an integer from 0 to 6; or a diastereomer, enantiomer or pharmaceutically acceptable salt of the compound.
• US9872919B2
  申请人：——

  公开号：US9872919B2

  公开（公告）日：2018-01-23
• [EN] NOVEL PRODRUGS FOR SELECTIVE ANTICANCER THERAPY<br/>[FR] NOUVEAUX PROMÉDICAMENTS POUR UNE THÉRAPIE ANTICANCÉREUSE SÉLECTIVE
  申请人：UNIV NEW YORK STATE RES FOUND

  公开号：WO2014047199A1

  公开（公告）日：2014-03-27

  The present invention provides a compound having the structure: (Formula (I)) wherein X is a therapeutic agent containing at least one amine nitogen and the amine nitrogen on the therapeutic agent covalently bonds directly to carbon α; Z is CH3 or CF3; R1 is -H, -NR2R3, -NH-C (=0) -R4, -NH-C (=0) -0R4, -CH2-C (=0) -NR5R6, -OR7, -CO2R7, C1-6alkyl, C2-6alkenyl, C2-6 alkynyl, aryl, or heteroaryl, wherein R2, R3, R4, R5, R6 and R7 are each, independently, -H, C1-6 alkyl, C2-6 alkenyl, C2-6 alkynyl, heteroalkyl, cycloalkyl, heterocyclyl, aryl, alkylaryl, heteroaryl, alkylheteroaryl, an amino acid or an oligopeptide; wherein an amine of the amino acid or oligopeptide is substituted or unsubstituted; and n is an integer from 0 to 6; or a diastereomer, enantiomer or pharmaceutically acceptable salt of the compound.