1-(6-(4-fluorobenzyl)-5-(hydroxymethyl)-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)-2-((2R,5R)-5-methyl-2-(((R)-3-methylmorpholino)methyl)piperazin-1-yl)ethan-1-one

Base Information

• Chemical Name: 1-(6-(4-fluorobenzyl)-5-(hydroxymethyl)-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)-2-((2R,5R)-5-methyl-2-(((R)-3-methylmorpholino)methyl)piperazin-1-yl)ethan-1-one
• CAS No.: 1799328-86-1
• Molecular Formula: C30H42FN5O3
• Molecular Weight: 539.7
• UNII: 2LHZ9ZC3YO
• NCI Thesaurus Code: C123913
• Pharos Ligand ID: SA67D6MB2PGX
• ChEMBL ID: CHEMBL4173974
• Mol file: 1799328-86-1.mol

Synonyms:ASTX-660;ASTX660;ethanone, 1-(6-((4-fluorophenyl)methyl)-2,3-dihydro-5-(hydroxymethyl)-3,3-dimethyl-1H-pyrrolo(3,2-B)pyridin-1-yl)-2-((2R,5R)-5-methyl-2-(((3R)-3-methyl-4-morpholinyl)methyl)-1-piperazinyl)-

Chemical Property of 1-(6-(4-fluorobenzyl)-5-(hydroxymethyl)-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)-2-((2R,5R)-5-methyl-2-(((R)-3-methylmorpholino)methyl)piperazin-1-yl)ethan-1-one

Chemical Property:

• PKA: 13.30±0.10(Predicted)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 539.32716838
• Heavy Atom Count: 39
• Complexity: 824

Purity/Quality:

97% ^*data from raw suppliers

ASTX660(Tolinapant） >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CN(C(CN1)CN2CCOCC2C)CC(=O)N3CC(C4=C3C=C(C(=N4)CO)CC5=CC=C(C=C5)F)(C)C
• Isomeric SMILES: C[C@@H]1CN([C@H](CN1)CN2CCOC[C@H]2C)CC(=O)N3CC(C4=C3C=C(C(=N4)CO)CC5=CC=C(C=C5)F)(C)C
• Recent ClinicalTrials: A Study of Tolinapant in Combination With Oral Decitabine/Cedazuridine and Oral Decitabine/Cedazuridine Alone in Participants With Relapsed/Refractory Peripheral T-cell Lymphoma (R/R PTCL)
• Recent EU Clinical Trials: Phase 1-2 Study of the Safety, Pharmacokinetics, and Preliminary Activity of ASTX660 in Subjects with Advanced Solid Tumors and Lymphomas