2-[[4-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]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: 2-[[4-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid
• 化学式: C₂₁H₂₅N₅O₆
• 分子量: 443.5
• InChiKey: QKZNKVNMHIZLCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  183
• 氢给体数：
  6
• 氢受体数：
  7

文献信息

• Condensed pyrimidine derivatives as inhibitors of foic acid-dependent enzymes
  申请人：Stoicescu, Dan

  公开号：EP1754484A1

  公开（公告）日：2007-02-21

  The invention relates to compounds of the formula I, useful as inhibitors of folic acid-dependent enzymes, or pharmaceutically acceptable salts thereof: wherein: Z= O or S; B=-NR2-, -CH2NR2-, -CH2CH2NR2-, -CH2CHR7- or -CH2O-, wherein R2 is H or a C1-3 alkyl, alkenyl or alkynyl group, and R7 is H or a C1-3 alkyl or alkoxy group; A= and n, R3, R4 are defined as in the claims.

  该发明涉及公式I的化合物，作为叶酸依赖酶的抑制剂或其药用可接受的盐： 其中： Z= O或S; B=-NR2-, -CH2NR2-, -CH2CH2NR2-, -CH2CHR7-或-CH2O-， 其中R2为H或C1-3烷基，烯基或炔基，以及 R7为H或C1-3烷基或烷氧基; A= 以及n，R3，R4如索权中所定义。
• CONDENSED PYRIMIDINE DERIVATIVES AS INHIBITORS OF FOIC ACID-DEPENDENT ENZYMES
  申请人：Stoicescu, Dan

  公开号：EP1809292B1

  公开（公告）日：2008-05-21
• Novel Inhibitors of Folic Acid-Dependent Enzymes
  申请人：Stoicescu Dan

  公开号：US20070265444A1

  公开（公告）日：2007-11-15

  The invention relates to compounds of the formula I, or pharmaceutically acceptable salts thereof: wherein: Z=O or S; n=1−3; R═—CO 2 R 8 , —C(O)SR 8 , —C(O)NHR 8 , —C(S)OR 8 , —C(S)SR 8 , —C(S)NHR 8 , —C(NH)SR 8 or —C(NH)NR 8 , wherein R 8 is —H or alkyl; R 4 ═.H, —CH 2 R 5 or —CH 2 CH 2 R 5 , wherein R 5 independently has one of the meanings of R 3 ; B═—NR 2 —, —CH 2 NR 2 —, —CH 2 CH 2 NR 2 , —CH 2 CHR 2 — or —CH 2 O—, wherein R 2 is H or a C 1 3 alkyl, alkenyl or alkynyl group, and R 7 is H or a C 13 alkyl or alkoxy group; A=wherein R 1 ═—NH 2 or —OH, and C and D are each, independently, a 5 - or 6 -membered, substituted or unsubstituted, aromatic or non-aromatic ring which may also contain one or more heteroatoms, and C is connected to group B in any available position.
• Novel inhibitors of folic acid-dependent enzymes
  申请人：Stoicescu Dan

  公开号：US20080207652A1

  公开（公告）日：2008-08-28

  The invention relates to compounds of the formula I, or pharmaceutically acceptable salts thereof: wherein: Z=O or S; n=1-3; R 3 ═—CO 2 R 8 , —C(O)SR 8 , —C(O)NHR 8 , —C(S)OR 8 , —C(S)SR 8 , —C(S)NHR 8 , —C(NH)SR 8 or —C(NH)NHR 8 , wherein R 8 is —H or alkyl; R 4 ═—H, —CH 2 R 5 or —CH 2 CH 2 R 5 , wherein R 5 independently has one of the meanings of R 3 ; B═—NR 2 —, —CH 2 NR 2 —, —CH 2 CH 2 NR 2 —, —CH 2 CHR 7 — or —CH 2 O—, wherein R 2 is H or a C 1-3 alkyl, alkenyl or alkynyl group, and R 7 is H or a C 1-3 alkyl or alkoxy group; wherein R 1 ═—NH 2 or —OH, and C and D are each, independently, a 5- or 6-membered, substituted or unsubstituted, aromatic or non-aromatic ring which may also contain one or more heteroatoms, and C is connected to group B in any available position.
• Novel inhibitors of folic acid-dependent enzymes
  申请人：Stoicescu Dan

  公开号：US20080214550A1

  公开（公告）日：2008-09-04

  The invention relates to compounds of the formula I, or pharmaceutically acceptable salts thereof: wherein: Z=O or S; n=1-3; R 3 =—CO 2 R 8 , —C(O)SR 8 , —C(O)NHR 8 , —C(S)OR 8 , —C(S)SR 8 , —C(S)NHR 8 , —C(NH)SR 8 or —C(NH)NHR 8 , wherein R 8 is —H or alkyl; R 4 =—H, —CH 2 R 5 or —CH 2 CH 2 R 5 , wherein R 5 independently has one of the meanings of R 3 ; B=—NR 2 —, —CH 2 NR 2 —, —CH 2 CH 2 NR 2 —, —CH 2 CHR 7 — or —CH 2 O—, wherein R 2 is H or a C 13 alkyl, alkenyl or alkynyl group, and R 7 is H or a C 1-3 alkyl or alkoxy group; wherein R 1 =—NH 2 or —OH, and C and D are each, independently, a 5- or 6-membered, substituted or unsubstituted, aromatic or non-aromatic ring which may also contain one or more heteroatoms, and C is connected to group B in any available position.