(S)-2-({5-[2-(2-Amino-4-oxo-4,6,7,8-tetrahydro-3H-pyrimido[5,4-b][1,4]thiazin-6-yl)-ethyl]-thiophene-2-carbonyl}-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: (S)-2-({5-[2-(2-Amino-4-oxo-4,6,7,8-tetrahydro-3H-pyrimido[5,4-b][1,4]thiazin-6-yl)-ethyl]-thiophene-2-carbonyl}-amino)-pentanedioic acid
• 英文别名: (2S)-2-[[5-[2-(2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl)ethyl]thiophene-2-carbonyl]amino]pentanedioic acid
• 化学式: C₁₈H₂₁N₅O₆S₂
• 分子量: 467.5
• InChiKey: HHKAOUMVRGSKLS-AXDSSHIGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  237
• 氢给体数：
  6
• 氢受体数：
  9

文献信息

• CYCLOPENTA[G]QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF RHEUMATOID ARTHRITIS OR ACUTE MYELOID LEUKAEMIA
  申请人：BTG International Limited

  公开号：EP2293807B1

  公开（公告）日：2012-05-09
• CYCLOPENTAQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF RHEUMATOID ARTHRITIS OR ACUTE MYELOID LEUKAEMIA
  申请人：Jansen Gerrit

  公开号：US20110190211A1

  公开（公告）日：2011-08-04

  A cyclopenta[g]quinazoline derivative, containing an L-Glu-γ-D-Glu dipeptide group, of formula (I): wherein R 1 is amino, C 1-4 hydroxyalkyl, C 1-4 fluoroalkyl or methoxy-C 1-4 -alkyl; R 2 is hydrogen, C 1-4 alkyl, C 3-4 alkenyl, C 3-4 alkynyl, C 2-4 hydroxyalkyl C 2-4 halogenoalkyl or C 1-4 cyanoalkyl; and Ar is phenylene, thiophenediyl, thiazolediyl, pyridinediyl or pyrimidinediyl which may optionally bear one or two substituents selected from halogeno, hydroxy, amino, nitro, cyano, trifluoromethyl, C 1-4 alkyl and C 1-4 alkoxy, the compound (I) optionally being in the form of a pharmaceutically acceptable salt or ester; may be used for the treatment of rheumatoid arthritis or acute myeloid leukaemia.
• US8466111B2
  申请人：——

  公开号：US8466111B2

  公开（公告）日：2013-06-18
• [EN] CYCLOPENTA[G]QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF RHEUMATOID ARTHRITIS OR ACUTE MYELOID LEUKAEMIA<br/>[FR] DÉRIVÉS DE CYCLOPENTA[G]QUINAZOLINE POUR LE TRAITEMENT DE LA POLYARTHRITE RHUMATOÏDE OU DE LA LEUCÉMIE MYÉLOÏDE AIGUË
  申请人：BTG INT LTD

  公开号：WO2009115776A1

  公开（公告）日：2009-09-24

  A cyclopenta[g]quinazoline derivative, containing an L-Glu-γ-D-Glu dipeptide group, of formula (I): wherein: R1 is amino, C1-4 alkyl, C1-4 hydroxyalkyl, C1-4 fluoroalkyl or methoxy-C1-4 -alkyl; R2 is hydrogen, C1-4 alkyl, C3-4 alkenyl, C3-4 alkynyl, C2-4 hydroxyalkyl C2-4 halogenoalkyl or C1-4 cyanoalkyl; and Ar is phenylene, thiophenediyl, thiazolediyl, pyridinediyl or pyrimidinediyl which may optionally bear one or two substituents selected from halogeno, hydroxy, amino, nitro, cyano, trifluoromethyl, C1-4 alkyl and C1-4 alkoxy. the compound (I) optionally being in the form of a pharmaceutically acceptable salt or ester; may be used for the treatment of rheumatoid arthritis or acute myeloid leukaemia.