2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]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: 2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid
• 英文别名: 2-[[5-[methyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid
• 化学式: C₂₁H₂₂N₄O₆S
• 分子量: 458.5
• InChiKey: IVTVGDXNLFLDRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  177
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• [EN] CALICHEAMICIN DERIVATIVES AND ANTIBODY DRUG CONJUGATES THEREOF<br/>[FR] DÉRIVÉS DE CALICHÉAMICINE ET CONJUGUÉS ANTICORPS-MÉDICAMENTS DE CEUX-CI
  申请人：PFIZER

  公开号：WO2018138591A1

  公开（公告）日：2018-08-02

  The present invention is directed to novel calicheamicin derivatives useful as payloads in antibody-drug-conjugates (ADC's), and to payload-linker compounds and ADC compounds comprising the same; to pharmaceutical compositions comprising the same and to methods for using the same to treat pathological conditions such as cancer.

  本发明涉及新型calicheamicin衍生物，用作抗体-药物偶联物（ADC）的有效载荷，以及包含相同有效载荷-连接剂化合物和ADC化合物；涉及包含它们的药物组合物以及使用它们治疗诸如癌症等病理状态的方法。
• Polymer Conjugate Of Folic Acid Or Folic Acid Derivative
  申请人：Nakanishi Takeshi

  公开号：US20110294980A1

  公开（公告）日：2011-12-01

  Disclosed is a polymer conjugate of folic acid or a folic acid derivative, wherein an amide bond is not used. The compound has chemical stability and adequate drug release rate in the living organism. Specifically disclosed is a polymer conjugate of folic acid or a folic acid derivative, wherein a substituent represented by formula (I) is bonded to a carboxy group of a block copolymer which is composed of a polyethylene glycol and a polymer having a carboxy group in a side chain, or a pharmacologically acceptable salt thereof. [In the formula, A represents a monocyclic or fused aromatic group; G represents an optionally substituted (C1-C6) alkylene group; Y represents a hydrogen atom or a substituent; and E represents a residue of folic acid or a folic acid derivative.]

  揭示了一种叶酸或叶酸衍生物的聚合物共轭物，其中未使用酰胺键。该化合物在活体内具有化学稳定性和适当的药物释放速率。具体揭示了一种叶酸或叶酸衍生物的聚合物共轭物，其中配体由式(I)所表示的取代基与由聚乙二醇和具有侧链上羧基的聚合物组成的嵌段共聚物的羧基结合，或其药理学上可接受的盐。[在该式中，A代表单环或融合芳香基团；G代表可选取代的(C1-C6)烷基基团；Y代表氢原子或取代基；E代表叶酸或叶酸衍生物的残基。]
• Diaminopyrimidines and combination therapies effective for treatment of P-glycoprotein positive cancers
  申请人：——

  公开号：US20040006042A1

  公开（公告）日：2004-01-08

  The present invention provides compounds of Formula II: 1

  本发明提供了II式化合物：1
• ENZYME INHIBITING COMPOUNDS
  申请人：Roberts Michael J.

  公开号：US20110112126A1

  公开（公告）日：2011-05-12

  The present invention is directed to compounds that are specifically structured to provide enzyme inhibition. In specific embodiments, the enzyme inhibiting compounds exhibit antifolate activity. Particularly, the inventive compounds are formed of an antifolate residue that is active in inhibiting one or more of TS, DHFR, GAR, FPGS, and AICAR Tfase. The enzyme inhibiting compounds are useful in a variety of methods of treatment, including treating abnormal cell proliferation and treating inflammation.

  本发明涉及一种具有特定结构以提供酶抑制作用的化合物。在具体实施例中，这些酶抑制化合物表现出抗叶酸活性。特别地，本发明的化合物由一个抗叶酸残基形成，该残基在抑制TS、DHFR、GAR、FPGS和AICAR Tfase中的一个或多个方面具有活性。这些酶抑制化合物在多种治疗方法中有用，包括治疗异常细胞增殖和治疗炎症。
• POLYMER CONJUGATE OF FOLIC ACID OR FOLIC ACID DERIVATIVE
  申请人：Nippon Kayaku Kabushiki Kaisha

  公开号：EP2284209A1

  公开（公告）日：2011-02-16

  Disclosed is a polymer conjugate of folic acid or a folic acid derivative, wherein an amide bond is not used. The compound has chemical stability and adequate drug release rate in the living organism. Specifically disclosed is a polymer conjugate of folic acid or a folic acid derivative, wherein a substituent represented by formula (I) is bonded to a carboxy group of a block copolymer which is composed of a polyethylene glycol and a polymer having a carboxy group in a side chain, or a pharmacologically acceptable salt thereof. [In the formula, A represents a monocyclic or fused aromatic group; G represents an optionally substituted (C1-C6) alkylene group; Y represents a hydrogen atom or a substituent; and E represents a residue of folic acid or a folic acid derivative.]

  本发明公开了一种叶酸或叶酸衍生物的聚合物共轭物，其中未使用酰胺键。该化合物在生物体内具有化学稳定性和足够的药物释放率。具体公开了一种叶酸或叶酸衍生物的聚合物共轭物，其中由式（I）代表的取代基键合到嵌段共聚物的羧基上，嵌段共聚物由聚乙二醇和侧链中含有羧基的聚合物组成，或其药理学上可接受的盐。 [式中，A 代表单环或融合芳香基团；G 代表任选取代的（C1-C6）亚烷基；Y 代表氢原子或取代基；E 代表叶酸残基或叶酸衍生物。］