(2S)-2-[(4-nitrobenzoyl)amino]pentanedioate

• 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: (2S)-2-[(4-nitrobenzoyl)amino]pentanedioate
• 化学式: C12H10N2O7-2
• 分子量: 294.22
• InChiKey: NOJZBJAFCSWMKC-VIFPVBQESA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  155
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Quinazoline derivatives, processes for their preparation, compositions containing them and their use as anti-cancer agents
  申请人：NATIONAL RESEARCH DEVELOPMENT CORPORATION

  公开号：EP0031237A1

  公开（公告）日：1981-07-01

  Quinazoline derivatives of formula: wherein r represents: 1) a straight or branched chain unsaturated hydrocarbon group, or 2) a straight or branched chain saturated or unsaturated hydrocarbon group which is substituted by at least one: heteroatom, the or each heteroatom being halogeno when R is a C1 hydrocarbon group; or saturated carbocyclic group; or group containing at least one heteroatom, the or each heteroatom being 0, N or S when R contains a cyclic group; and n is 0 or an integer of 1-4; X or, when n is an integer of at least 2, each X independently, represents a halogeno, C1-C4 alkyl, aryl or aralkyl group or a group including at least one heteroatom; and Y represents a group of formula:- wherein m . 1 (poly-L-glutamates); and the pharmaceutically acceptable salts and esters thereof, which are suitable as anti-cancer agents.

  式中的喹唑啉衍生物： 其中 r 代表1) 直链或支链不饱和烃基，或 2) 被至少一个杂原子取代的直链或支链饱和或不饱和烃基：杂原子，当 R 为 C1 烃基时，或每个杂原子为卤素；或饱和碳环基团；或含有至少一个杂原子的基团，当 R 含有环状基团时，或每个杂原子为 0、N 或 S；且 n 为 0 或 1-4 的整数；X 或当 n 为至少 2 的整数时，每个 X 独立地代表卤素、C1-C4 烷基、芳基或芳烷基或包含至少一个杂原子的基团；且 Y 代表式中的一个基团：- 1. 其中 m .1（聚-L-谷氨酸盐）；及其药学上可接受的盐和酯，可用作抗癌剂。
• Anti-cancer quinazoline derivatives
  申请人：BRITISH TECHNOLOGY GROUP LIMITED

  公开号：EP0204529A2

  公开（公告）日：1986-12-10

  Quinazoline derivatives of the formula wherein R is 1) hydrogen or 2) a straight or branched chain saturated or unsaturated hydrocarbon group, or 3) a straight or branched chain saturated or unsaturated hydrocarbon group which is substituted by at least one heteroatom, the or each heteroatom being halogeno when R is a C, hydrocarbon group, by a saturated carbocyclic group or by a group containing at least one heteroatom, the or each heteroatom being 0, N or S when R contains a cyclic group; n is 0,1 or 2; Z represents -CH=CH- or-O-or-S-; X or, when n is an integer of at least 2, each X independently, represents a halogeno, C1-C4 alkyl, aryl or aralkyl group or a group including at least one heteroatom and Y represents a group of formula: or where m ≥1 (poly-L-glutamic acid residues) or or or a pharmaceutically acceptable salt or ester thereof are good inhibitors of thymidylate synthase but have reduced hepatic toxicity compared to their 2-amino quinazolinyl analogues. This renders compounds of formula I of value as anti-tumour agents. Compounds of formula I can be prepared by condensing appropriately substituted 6-halomethyl or sul- phonylmethyl quinazolines with appropriating substituted p-amino benzoyl-, furoyl- or thienylcarbonyl aspartates, glutamates, alanines or amino butyric acids and removing the protecting groups.

  式中的喹唑啉衍生物 其中 R 是 1) 氢 或 2) 直链或支链饱和或不饱和烃基，或 3) 被至少一个杂原子取代的直链或支链饱和或不饱和烃基，当 R 为 C、烃基时，该杂原子或每个杂原子为卤代；当 R 含有环状基团时，该杂原子或每个杂原子为 0、N 或 S；n 为 0、1 或 2；Z 代表-CH=CH- 或-O-或-S-；X 或，当 n 为至少 2 的整数时，每个 X 独立地代表卤素、C1-C4 烷基、芳基或芳烷基或包含至少一个杂原子的基团，Y 代表式中的一个基团： 或 其中 m ≥1（多 L-谷氨酸残基）或 或 或其药学上可接受的盐或酯是胸腺嘧啶酸合成酶的良好抑制剂，但与 2-氨基喹唑啉类似物相比，肝毒性较低。这使得式 I 化合物具有抗肿瘤剂的价值。通过将适当取代的 6-卤甲基或砜甲基喹唑啉与适当取代的对氨基苯甲酰、呋喃基或噻吩基羰基天冬氨酸、谷氨酸、丙氨酸或氨基丁酸缩合并除去保护基团，可制备式 I 化合物。
• Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water
  申请人：Lipshutz Bruce H.

  公开号：US20170173569A1

  公开（公告）日：2017-06-22

  In one embodiment, the application discloses a composition for the reduction of an organic compound comprising a nitro group to form an organic compound comprising an amine group, the composition comprising: a) a transition metal salt; b) an iron salt; and c) a reducing agent; and methods for the use of such compositions, including Click chemistry and cross coupling reactions.
• US4447608A
  申请人：——

  公开号：US4447608A

  公开（公告）日：1984-05-08
• US4564616A
  申请人：——

  公开号：US4564616A

  公开（公告）日：1986-01-14