edatrexate | 80576-83-6

• 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: edatrexate
• 英文别名: 10-ethyl-10-deazaaminopterin；2-[[4-[1-(2,4-Diaminopteridin-6-yl)butan-2-yl]benzoyl]amino]pentanedioic acid
• CAS: 80576-83-6
• 化学式: C₂₂H₂₅N₇O₅
• 分子量: 467.484
• InChiKey: FSIRXIHZBIXHKT-UHFFFAOYSA-N

物化性质

• 密度：
  1.441±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  207
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  edatrexate 在 N-甲基吡咯烷酮 、 水 、 三乙胺 、 氯甲酸异丁酯 作用下， 反应 23.5h， 生成 2-{4-[1-(2,4-Diamino-7-cyano-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid dimethyl ester
  参考文献：
  名称：

  甲氨蝶呤和10-乙基-10-Deazaaminopterin的7-羟基代谢产物的合成

  摘要：

  有效的叶酸拮抗剂甲氨蝶呤和10-乙基-10-去氮杂氨基蝶呤在体内被氧化为其7-羟基衍生物。使用二乙基磷腈基酯在蝶啶环系统的C-7位进行特定的氰化反应，将甲氨蝶呤和10-乙基-10-去氮杂氨基蝶呤的二甲基酯转化为相应的7-氰基二甲基酯衍生物，将其水解为7-羟基代谢物。

  DOI：

  10.1002/jps.2600760810
• 作为产物：
  描述：

  diethyl N-<4-<1-<(2,4-diamino-6-pteridinyl)methyl>propyl>benzoyl>-L-glutamate 在 sodium hydroxide 作用下， 以 乙腈 为溶剂， 反应 18.0h， 生成 edatrexate
  参考文献：
  名称：

  Folate analogs. 24. Syntheses of the antitumor agents 10-deazaaminopterin (10-DAAM) and 10-ethyl-10-deazaaminopterin (10-EDAAM)

  摘要：

  DOI：

  10.1021/jo00211a019

文献信息

• 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。]
• 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。］
• J. Med. Chem. 1992, 35, 3002-3006
  作者：

  DOI：——

  日期：——
• DEGRAW, J. I.;BROWN, V. H.;TAGAWA, H.;KISLIUK, R. L.;GAUMONT, Y.;SIROTNAK+, J. MED. CHEM., 1982, 25, N 10, 1227-1230
  作者：DEGRAW, J. I.、BROWN, V. H.、TAGAWA, H.、KISLIUK, R. L.、GAUMONT, Y.、SIROTNAK+

  DOI：——

  日期：——
• PROSTATE-SPECIFIC MEMBRANE ANTIGEN AND USES THEREOF
  申请人：Israeli Ron S.

  公开号：US20100310452A1

  公开（公告）日：2010-12-09

  This invention provides an isolated nucleic acid molecule encoding an alternatively spliced human prostate-specific membrane antigen. This invention provides an isolated nucleic acid comprising a promoter sequence normally associated with the transcription of a gene encoding a human prostate-specific membrane antigen. This invention provides an isolated polypeptide having the biological activity of an alternatively spliced prostate-specific membrane antigen. This invention provides a method of detecting a nucleic acid encoding an alternatively spliced human prostate-specific membrane antigen and a method of detecting a prostate tumor cell in a subject. Lastly, this invention provides a pharmaceutical composition comprising a compound in a therapeutically effective amount and a pharmaceutically acceptable carrier and a method of making prostate cells susceptible to a cytotoxic chemotherapeutic agent.