disodium;2-amino-5-[[1-(carboxylatomethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoate

• 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: disodium;2-amino-5-[[1-(carboxylatomethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoate
• 化学式: C10H15N3Na2O6S
• 分子量: 351.29
• InChiKey: JAOFASXEKQFNPY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -10.87
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  166
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• [EN] HETEROCYCLIC COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEURS UTILISATIONS
  申请人：INFINITY PHARMACEUTICALS INC

  公开号：WO2015051241A1

  公开（公告）日：2015-04-09

  Compounds and pharmaceutical compositions that modulate kinase activity, including PI3 kinase activity, and compounds, pharmaceutical compositions, and methods of treatment of diseases and conditions associated with kinase activity, including PI3 kinase activity, are described herein.

  本发明描述了调节激酶活性的化合物和药物组合物，包括PI3激酶活性，以及用于治疗与激酶活性相关的疾病和状况的化合物、药物组合物和方法，包括PI3激酶活性。
• [EN] HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF PI3K-GAMMA MEDIATED DISORDERS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT DE TROUBLES MÉDIÉS PAR PI3K-GAMMA
  申请人：INFINITY PHARMACEUTICALS INC

  公开号：WO2015143012A1

  公开（公告）日：2015-09-24

  Compounds and pharmaceutical compositions that modulate kinase activity, including PI3 kinase activity, and compounds, pharmaceutical compositions, and methods of treatment of diseases and conditions associated with kinase activity, including PI3 kinase activity, are described herein.

  本文描述了调节激酶活性的化合物和药物组合物，包括PI3激酶活性，以及与激酶活性相关的疾病和状况的治疗方法，包括PI3激酶活性的化合物、药物组合物和治疗方法。
• HETEROCYCLIC COMPOUNDS AND USES THEREOF
  申请人：INFINITY PHARMACEUTICALS, INC.

  公开号：US20130267521A1

  公开（公告）日：2013-10-10

  Compounds and pharmaceutical compositions that modulate kinase activity, including PI3 kinase activity, and compounds, pharmaceutical compositions, and methods of treatment of diseases and conditions associated with kinase activity, including PI3 kinase activity, are described herein.

  本发明描述了调节激酶活性的化合物和药物组合物，包括PI3激酶活性，以及用于治疗与激酶活性相关的疾病和状况的化合物、药物组合物和方法，包括PI3激酶活性。
• [EN] PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS PI3K INHIBITORS<br/>[FR] DÉRIVÉS DE PYRIMIDINE OU DE PYRIDINE UTILES EN TANT QU'INHIBITEURS DE PI3K
  申请人：INFINITY PHARMACEUTICALS INC

  公开号：WO2015168079A1

  公开（公告）日：2015-11-05

  Compounds (I) and pharmaceutical compositions that modulate kinase activity, including PI3 kinase activity, and compounds, pharmaceutical compositions, and methods of treatment of diseases and conditions associated with kinase activity, including P13 kinase activity, are described herein.

  本文描述了调节激酶活性，包括PI3激酶活性的化合物(I)和药物组合物，以及与激酶活性，包括PI3激酶活性相关的疾病和病状的治疗方法、化合物和药物组合物。
• PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CFTR-MEDIATED DISORDERS
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150080431A1

  公开（公告）日：2015-03-19

  The present invention relates to the use of N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide (Compound 1), solids forms, and pharmaceutical compositions thereof for the treatment of CFTR-mediated diseases, particularly cystic fibrosis, in patients possessing specific genetic mutations. The present invention also relates to the use of Compound 1 in combination with 3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoic acid (Compound 2), and Compound 1 in combination with (S)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(2,3-dihydroxypropyl)-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide (Compound 3), for the treatment of CFTR-mediated diseases, particularly cystic fibrosis, in patients possessing specific genetic mutations. The present invention also relates to solid forms and formulations of Compound 2 or Compound 3 in combination with Compound 1, and pharmaceutical compositions thereof, for the treatment of CFTR-mediated diseases, particularly cystic fibrosis, in patients possessing specific genetic mutations.

  本发明涉及利用N-[2,4-双(1,1-二甲基乙基)-5-羟基苯基]-1,4-二氢-4-氧喹啉-3-羧酰胺（化合物1），其固体形式和制药组合物，用于治疗CFTR介导的疾病，特别是囊性纤维化病，在患有特定基因突变的患者中。本发明还涉及将化合物1与3-(6-(1-(2,2-二氟苯并[d][1,3]二噁英-5-基)环丙基羧酰胺)-3-甲基吡啶-2-基)苯甲酸（化合物2）和化合物1与（S）-1-(2,2-二氟苯并[d][1,3]二噁英-5-基)-N-(1-(2,3-二羟基丙基)-6-氟-2-(1-羟基-2-甲基丙基)-1H-吲哚-5-基)环丙基羧酰胺（化合物3）组合使用，用于治疗CFTR介导的疾病，特别是囊性纤维化病，在患有特定基因突变的患者中。本发明还涉及化合物2或化合物3与化合物1的固体形式和配方，以及其制药组合物，用于治疗CFTR介导的疾病，特别是囊性纤维化病，在患有特定基因突变的患者中。