(2s)-1-{[5-(3-Methyl-1h-Indazol-5-Yl)pyridin-3-Yl]oxy}-3-Phenylpropan-2-Amine

Base Information

• Chemical Name: (2s)-1-{[5-(3-Methyl-1h-Indazol-5-Yl)pyridin-3-Yl]oxy}-3-Phenylpropan-2-Amine
• CAS No.: 552325-73-2
• Molecular Formula: C22H23ClN4O
• Molecular Weight: 394.16
• UNII: 3W2X0WGW6C
• ChEMBL ID: CHEMBL379218
• DSSTox Substance ID: DTXSID10462115
• Metabolomics Workbench ID: 151695
• Pharos Ligand ID: AFFL3QR5PQ81
• Wikidata: Q27074076
• Mol file: 552325-73-2.mol

Synonyms:A-674563

Chemical Property of (2s)-1-{[5-(3-Methyl-1h-Indazol-5-Yl)pyridin-3-Yl]oxy}-3-Phenylpropan-2-Amine

Chemical Property:

• Boiling Point: 624.4±55.0 °C(Predicted)
• PKA: 13.43±0.40(Predicted)
• PSA: 76.82000
• Density: 1.229
• LogP: 4.58240
• Solubility.: insoluble in EtOH; ≥23.8 mg/mL in H2O; ≥4.9 mg/mL in DMSO
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 358.17936134
• Heavy Atom Count: 27
• Complexity: 456

Purity/Quality:

98%,99%, ^*data from raw suppliers

A-674563 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OCC(CC4=CC=CC=C4)N
• Isomeric SMILES: CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CC=CC=C4)N
• Uses: A-674563 inhibits Akt1, PKA and CDK2 with Ki of 11 nM, 16 nM and 46 nM, respectively.