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OSU-03012 (AR-12)

CAT: 0607-A2846-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-A2846-100Size:100 mg
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Description
Potent PDK1 inhibitor
CAS Number
742112-33-0
Product Name Alternative
2-amino-N-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
Field of Research
PI3K Akt mTOR Signaling PDK-1
Purity
0.9943
Form
A solid
Solubility
≥23 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
Smiles
C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F
Molecular Formula
C26H19F3N4O
Molecular Weight
460.45
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

2-Amino-N-(4-(5-(2-phenanthrenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)acetamide

OSU-03012 is a member of the class of pyrazoles that is N-[4-(pyrazol-1-yl)phenyl]glycinamide in which the pyrazole ring is substituted at positions 3 and 5 by trifluoromethyl and phenanthrene-2-yl groups respectively. It has a role as an antineoplastic agent, an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor and an apoptosis inducer. It is a glycine derivative, a member of phenanthrenes, a member of pyrazoles, an organofluorine compound, an aromatic amide and an antibiotic antifungal drug.

CAS Number742112-33-0
PubChem CID10027278
IUPAC Name2-amino-N-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
Molecular FormulaC26H19F3N4O
Molecular Weight460.4
XLogP5.2
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity711
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F
InChI
InChI=1S/C26H19F3N4O/c27-26(28,29)24-14-23(33(32-24)20-10-8-19(9-11-20)31-25(34)15-30)18-7-12-22-17(13-18)6-5-16-3-1-2-4-21(16)22/h1-14H,15,30H2,(H,31,34)
InChIKey
YULUCECVQOCQFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-N-(4-(5-(2-phenanthrenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)acetamide
CAS: 742112-33-0
CID: 10027278
Formula: C26H19F3N4O
MW: 460.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.4
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass460.15109573
Monoisotopic Mass460.15109573
Topological Polar Surface Area72.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity711
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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