pemetrexed

• 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: pemetrexed
• 英文别名: [3H]pemetrexed；2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid
• 化学式: C₂₀H₂₁N₅O₆
• 分子量: 427.417
• InChiKey: WBXPDJSOTKVWSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  187
• 氢给体数：
  6
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  pemetrexed 在 lithium hydroxide 作用下， 以 甲醇 为溶剂， 以85%的产率得到pemetrexed dilithium
  参考文献：
  名称：

  [EN] NOVEL STABLE SALTS OF PEMETREXED
  [FR] NOUVEAUX SELS STABLES DE PÉMÉTREXED

  摘要：

  本发明涉及抗癌药物Pemetrexed的新型晶体盐及其制备过程。更具体地，本发明涉及稳定且高溶解度的晶态Pemetrexed二锂七水合物以及其制备过程。

  公开号：

  WO2017168442A1

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。
• [EN] PROCESSES OF PREPARING POLYGLUTAMATED ANTIFOLATES AND USES OF THEIR COMPOSITIONS<br/>[FR] PROCÉDÉS DE PRÉPARATION D'ANTIFOLATES POLYGLUTAMIQUES ET LEURS UTILISATIONS
  申请人：L E A F HOLDINGS GROUP LLC

  公开号：WO2021026310A1

  公开（公告）日：2021-02-11

  Provided herein are methods of preparing polyglutamated compounds, such as polyglutamated antifolates, and/or pharmaceutical compositions such as liposomal compositions comprising the same, Also provided herein are substantially pure polyglutamated compounds, or a pharmaceutically acceptable salt thereof, or a pharmaceutical composition such as liposomal composition comprising the same. The present disclosure further provides methods of using the polyglutamated compounds and compositions to treat diseases including hyperproliferative diseases such as cancer, disorders of the immune system such as rheumatoid arthritis, and infectious diseases such as HIV, malaria, and schistomiasis.

  本文提供了制备多聚谷氨酸化合物的方法，例如多聚谷氨酸化抗叶酸类化合物，以及包含这些化合物的药物组合物，还提供了基本纯净的多聚谷氨酸化合物，或其药用可接受盐，或包含这些化合物的药物组合物。本公开还提供了使用多聚谷氨酸化合物和组合物治疗疾病的方法，包括高增殖性疾病如癌症，免疫系统紊乱如类风湿性关节炎，以及传染病如艾滋病、疟疾和血吸虫病。
• Polymer conjugate of folic acid or folic acid derivative
  申请人：Nakanishi Takeshi

  公开号：US09149540B2

  公开（公告）日：2015-10-06

  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.]

  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。该化合物在生物体中具有化学稳定性和适当的药物释放速率。具体公开了一种叶酸或叶酸衍生物的聚合物共轭物，其中由聚乙二醇和侧链上带有羧基的聚合物组成的嵌段共聚物的羧基与由式(I)所代表的取代基结合，或其药理学上可接受的盐。[在式中，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。]
• 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