(2S)-2-[[5-[methyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid;pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 5'-脱氧核糖核苷
• 英文名称: (2S)-2-[[5-[methyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid;pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
• 化学式: C36H44FN7O12S
• 分子量: 817.8
• InChiKey: MTDYXTJHPYIWND-YCBCJGETSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.74
• 重原子数：
  57
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  297
• 氢给体数：
  7
• 氢受体数：
  15

文献信息

• TREATMENT AND DIAGNOSIS OF MELANOMA
  申请人：The Rockefeller University

  公开号：EP2882496A2

  公开（公告）日：2015-06-17
• ANTI-MERTK AGONISTIC ANTIBODY-DRUG CONJUGATES AND USES THEREOF
  申请人：The Rockefeller University

  公开号：EP3645041A1

  公开（公告）日：2020-05-06
• [EN] TREATMENT AND DIAGNOSIS OF MELANOMA<br/>[FR] TRAITEMENT ET DIAGNOSTIC DU MÉLANOME
  申请人：UNIV ROCKEFELLER

  公开号：WO2014028461A2

  公开（公告）日：2014-02-20

  The present invention discloses novel agents and methods for diagnosis and treatment of melanoma. Also disclosed are related arrays, kits, and screening methods.
• [EN] PHARMACEUTICALLY ACCEPTABLE SALTS OF B-GUANIDINOPROPIONIC ACID WITH IMPROVED PROPERTIES AND USES THEREOF<br/>[FR] SELS PHARMACEUTIQUEMENT ACCEPTABLES D'ACIDE BÊTA-GUANIDINOPROPIONIQUE AYANT DES PROPRIÉTÉS AMÉLIORÉES ET UTILISATIONS DE CEUX-CI
  申请人：RGENIX INC

  公开号：WO2018160178A1

  公开（公告）日：2018-09-07

  The present invention relates to new pharmaceutical salts of β-GPA which exhibit improved physical properties. In particular, the invention relates to salts of β-GPA with improved flow properties (e.g., improved Carr's index and/or Hausner ratio) such as fumarate salts, succinate salts, and oxalate salts. The invention also relates to pharmaceutical compositions including a pharmaceutically effective amount of one or more salts of β-GPA, as well as methods of treating cancer including administration of a formulation including a β-GPA salt of the invention to a subject in need thereof.
• [EN] ANTI-MERTK AGONISTIC ANTIBODY-DRUG CONJUGATES AND USES THEREOF<br/>[FR] CONJUGUÉS ANTICORPS AGONISTE ANTI-MERTK-MÉDICAMENT
  申请人：UNIV ROCKEFELLER

  公开号：WO2019005756A1

  公开（公告）日：2019-01-03

  The present disclosure provides antibody-drug conjugates comprising (i) antibodies that specifically bind to Mer Tyrosine Kinase (MERTK) (e.g., human MERTK, or both human and mouse MERTK), and (ii) cytotoxic agents conjugated directly to the antibodies or conjugated to the antibodies via linkers, and compositions comprising such antibody-drug conjugates, wherein the antibodies contained in the antibody-drug conjugates agonize MERTK signaling of endothelial cells. The present disclosure also provides methods for treating cancer, by administering an antibody-drug conjugate that comprises (i) an antibody that specifically binds to MERTK and agonizes MERTK signaling of endothelial cells, and (ii) a cytotoxic agent conjugated directly to the antibody or conjugated to the antibody via a linker.