(S)-2-{4-[2-(2,4-diamino-quinazolin-6-yl)-ethyl]-benzoylamino}-4-methylene-pentanedioic acid dimethyl ester | 1190062-80-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (S)-2-{4-[2-(2,4-diamino-quinazolin-6-yl)-ethyl]-benzoylamino}-4-methylene-pentanedioic acid dimethyl ester
• 英文别名: (S)-2-{4-[2-(2,4-diamino-quinazolin-6-yl)-ethyl]benzoylamino}-4-methylene-pentanedioic acid dimethyl ester；dimethyl (2S)-2-[[4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioate
• CAS: 1190062-80-6
• 化学式: C₂₅H₂₇N₅O₅
• 分子量: 477.52
• InChiKey: OZORDVKAFIZPNK-FQEVSTJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  35
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  160
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (S)-2-{4-[2-(2,4-diamino-quinazolin-6-yl)-ethyl]-benzoylamino}-4-methylene-pentanedioic acid dimethyl ester 在 水 、 sodium hydroxide 、 盐酸 作用下， 以 乙腈 、 水 为溶剂， 以95%的产率得到(L)-4'-methylene-5,8,10-trideazaaminopterin
  参考文献：
  名称：

  CRYSTALLINE SALT FORMS OF ANTIFOLATE COMPOUNDS AND METHODS OF MANUFACTURING THEREOF

  摘要：

  本发明提供了制备抗叶酸化合物的方法。本发明的方法特别适用于制备具有改善生物利用度的化合物，使该化合物特别适用于制药组合物。根据本发明方法制备的化合物在治疗多种疾病方面有用，包括异常细胞增殖、炎症性疾病、哮喘和关节炎。

  公开号：

  US20090253719A1
• 作为产物：
  描述：

  4-amino-4-deoxy-5,8,10-trideazapteroic acid 、 (S)-2-amino-4-methylene-pentanedioic acid dimethyl ester hydrochloride 以to form (S)-2-{4-[2-(2,4-diamino-quinazolin-6-yl)-ethyl]benzoylamino}-4-methylene-pentanedioic acid dimethyl ester的产率得到(S)-2-{4-[2-(2,4-diamino-quinazolin-6-yl)-ethyl]-benzoylamino}-4-methylene-pentanedioic acid dimethyl ester
  参考文献：
  名称：

  CRYSTALLINE SALT FORMS OF ANTIFOLATE COMPOUNDS AND METHODS OF MANUFACTURING THEREOF

  摘要：

  本发明提供了制备抗叶酸化合物的方法。这些创新的方法特别适用于制备具有改善生物利用度的化合物，使该化合物在制药组合物中特别有用。根据本发明的方法制备的化合物在治疗多种疾病方面有用，包括异常细胞增殖、炎症性疾病、哮喘和关节炎。

  公开号：

  US20090253719A1

文献信息

• ANTIFOLATE COMPOSITIONS
  申请人：Chelsea Therapeutics, Inc.

  公开号：EP2282740A1

  公开（公告）日：2011-02-16
• ANTIFOLATE COMBINATIONS
  申请人：Roberts Michael J.

  公开号：US20120142692A1

  公开（公告）日：2012-06-07

  The present invention provides combinations of active agents, such combinations comprising one or more antifolate compounds. The particularly can include methotrexate and one or more further antifolate compounds. In specific embodiments, the combinations are useful for treating certain conditions, such as rheumatoid arthritis. The invention also provides articles useful to provide the combinations in desirable dosage forms and combinations. The combinations further may be useful in the treatment of further conditions, including abnormal cell proliferation, inflammatory diseases, asthma, and arthritis.
• US8658652B2
  申请人：——

  公开号：US8658652B2

  公开（公告）日：2014-02-25
• [EN] ANTIFOLATE COMPOSITIONS<br/>[FR] COMPOSITIONS ANTIFOLIQUES
  申请人：CHELSEA THERAPEUTICS INC

  公开号：WO2009126637A1

  公开（公告）日：2009-10-15

  The present invention provides pharmaceutical compositions comprising an antifolate compound. The composition exhibit improved bioavailability, and they particularly incorporate beneficial excipients that increase solubility and bioavailability, such as cyclodextrins or compounds formed of fatty acid esters of glycerol and polyethylene glycol esters. The pharmaceutical compositions are useful in the treatment of multiple conditions, including abnormal cell proliferation, inflammatory diseases, asthma, and arthritis.
• [EN] CRYSTALLINE SALT FORMS OF ANTIFOLATE COMPOUNDS AND METHODS OF MANUFACTURING THEREOF<br/>[FR] FORMES SALINES CRISTALLINES DE COMPOSÉS ANTIFOLATES ET LEURS PROCÉDÉS DE FABRICATION
  申请人：CHELSEA THERAPEUTICS INC

  公开号：WO2009126639A1

  公开（公告）日：2009-10-15

  The present invention provides methods of preparing antifolate compounds according to the formula depicted below. The inventive methods can particularly be use for preparing compounds exhibiting improved bioavailability, making the compound particularly useful in pharmaceutical compositions. The compounds prepared according to the inventive methods are useful in the treatment of multiple conditions, including abnormal cell proliferation, inflammatory diseases, asthma, and arthritis.