Pinometostat

Base Information

• Chemical Name: Pinometostat
• CAS No.: 1380288-87-8
• Molecular Formula: C30H42N8O3
• Molecular Weight: 562.71
• UNII: 8V9YR09EF3,F66X4M38G5
• DSSTox Substance ID: DTXSID20720950
• Nikkaji Number: J3.532.234E
• Wikidata: Q27215234,Q27088395,Q27277695
• NCI Thesaurus Code: C103179
• Pharos Ligand ID: QJLJRL1W4FPJ,QJLPWQC9AHY6,QJLWMPUKJUFP
• ChEMBL ID: CHEMBL4079133,CHEMBL3414626,CHEMBL3087499
• Mol file: 1380288-87-8.mol

Synonyms:(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-((((1r,3S)-3-(2-(5-(tert-butyl)-1H-benzo(d)imidazol-2-yl)ethyl)cyclobutyl)(isopropyl)amino)methyl)tetrahydrofuran-3,4-diol;EPZ-5676

Chemical Property of Pinometostat

Chemical Property:

• Boiling Point: 835.3±75.0 °C(Predicted)
• PKA: 12.34±0.10(Predicted)
• PSA: 151.23000
• Density: 1.45±0.1 g/cm3(Predicted)
• LogP: 3.90450
• Solubility.: ≥28.15 mg/mL in DMSO; insoluble in H2O; ≥50.3 mg/mL in EtOH with ultrasonic
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 562.33798723
• Heavy Atom Count: 41
• Complexity: 884

Purity/Quality:

99% ^*data from raw suppliers

9-[5-Deoxy-5-[[cis-3-[2-[6-(1,1-dimethylethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl](1-methylethyl)amino]-β-D-ribofuranosyl]-9H-purin-6-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N(CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C
• Isomeric SMILES: CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C
• Recent ClinicalTrials: A Phase 1, Open-Label, Dose-Escalation & Expanded Cohort, Continuous IV Infusion, Multi-center Study of the Safety, Tolerability,PK & PD of EPZ-5676 in Treatment Relapsed/Refractory Patients With Leukemias Involving
• Uses: 9-[5-Deoxy-5-[[cis-3-[2-[6-(1,1-dimethylethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl](1-methylethyl)amino]-β-D-ribofuranosyl]-9H-purin-6-amine, can be used as an adenosine anticancer, and antibiotic analogues.