1036717-95-9

Basic information

• Product Name: C₃₂H₃₆N₂O₆
• Synonyms: C₃₂H₃₆N₂O₆
• CAS NO: 1036717-95-9
• Molecular Weight: 544.648
• Mol File: 1036717-95-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₃₂H₃₆N₂O₆(CAS DataBase Reference)
• NIST Chemistry Reference: C₃₂H₃₆N₂O₆(1036717-95-9)
• EPA Substance Registry System: C₃₂H₃₆N₂O₆(1036717-95-9)

Safety Data

• Hazardous Substances Data: 1036717-95-9(Hazardous Substances Data)

Upstream product

• 84552-93-2 Boc-L-Tyr(Bzl)-OBt 
• 79815-19-3 methyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate 

Downstream Products

• 217957-08-9 (3S)-N-(Boc-L-tyrosinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid 

Relevant articles and documents

(3S)-N-(l-Aminoacyl)-1,2,3,4-tetrahydroisoquinolines, a class of novel antithrombotic agents: Synthesis, bioassay, 3D QSAR, and ADME analysis

To increase antithrombotic activity, 3S-tetrahydroisoquinoline-3-carboxylic acid (1) was modified with natural amino acids to form 19 novel dipeptide analogs, 3S-tetrahydroisoquinoline-3-carboxyamino acids (5a-s), targeting the intestinal peptide transport system. In vitro assay of 5a-s indicated that their potencies for inhibiting adenosine diphosphate (ADP), arachidonic acid (AA), platelet-activating factor (PAF), and thrombin (TH)-induced platelet aggregations were higher than that of 1. Additionally, in vivo assay of 5a-s indicated that their potencies for inhibiting thrombogenesis in rats were also higher than that of 1. Among the candidates, 5h with Ser attachment showed the most impressive features for further development. According to molecular field analysis based Cerius2 QSAR module, two equations (r, 0.961 and 0.988) correlating the structures with both in vitro and in vivo activities of 5a-s were established. ADMET calculations predict higher intestinal absorption for compounds 5a-s. Further investigation with 5h as a lead compound is underway.