Talabostat

Base Information

• Chemical Name: Talabostat
• CAS No.: 149682-77-9
• Molecular Formula: C9H19BN2O3
• Molecular Weight: 214.15
• Hs Code.: 2933990090
• UNII: KZ1O2SH88Z
• DSSTox Substance ID: DTXSID70869984
• Nikkaji Number: J702.467C
• Wikidata: Q27282515
• NCI Thesaurus Code: C48264
• Pharos Ligand ID: 6NP28ZC6NB6X
• Metabolomics Workbench ID: 149659
• ChEMBL ID: CHEMBL67279
• Mol file: 149682-77-9.mol

Synonyms:L-valinyl-L-boroproline;PT 100;PT-100;PT100 cpd;talabostat;valinyl-boroproline

Chemical Property of Talabostat

Chemical Property:

• Boiling Point: 421.437 °C at 760 mmHg
• PKA: 9.71±0.20(Predicted)
• Flash Point: 208.678 °C
• PSA: 86.79000
• Density: 1.155 g/cm³
• LogP: 0.03080
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 214.1488726
• Heavy Atom Count: 15
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

Talabostat >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1CCCN1C(=O)C(C(C)C)N)(O)O
• Isomeric SMILES: B([C@@H]1CCCN1C(=O)[C@H](C(C)C)N)(O)O
• Recent ClinicalTrials: Study of Talabostat and Pemetrexed vs. Pemetrexed in Stage IIIB/IV Non-Small Cell Lung Cancer (NSCLC) After Failure of Platinum-Based Chemotherapy
• Recent EU Clinical Trials: A Phase 1b/2 Study of BXCL701, a Small Molecule Inhibitor of Dipeptidyl Peptidases (DPP), Administered in Combination with the Anti-Programmed Cell Death 1 (PD-1) Monoclonal Antibody Pembrolizumab (PEMBRO; Keytruda?) in Patients with mCRPC either Small Cell Neuroendocrine Prostate Cancer (SCNC; NEPC) or Adenocarcinoma Phenotype
• Uses: Treatment of cancer; hematopoietic stimulant.