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BX-320

CAT: 0931-T37561-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T37561-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
702676-93-5
Target
Others, PDK
Related Pathways
PI3K/Akt/mTOR signaling, Others
Bioactivity
BX-320 is an inhibitor of the serine/threonine kinase 3-phosphoinositide-dependent protein kinase 1 (PDK1; IC50= 30 nM) .1It is selective for PDK1 over a panel of 10 additional kinases (IC50s = >820 nM for all) . BX-320 inhibits Akt and p70S6K1 phosphorylation in PC3 cells (IC50s = 1-3 μM) . It induces apoptosis in, and inhibits the growth of, MDA-MB-468 breast cancer cells (IC50s = 0.5 and 0.6 μM, respectively), as well as inhibits cell growth in a panel of cancer cells (IC50s = 0.12-1.2 μM) . BX-320 (200 mg/kg) inhibits the growth of lung tumors in a LOX melanoma mouse model of blood-borne metastasis.
Smiles
CC(C)(C(N)=O)C(=O)NCCCNC1=NC(NC2=CC=CC(NC(=O)N3CCCC3)=C2)=NC=C1Br
Molecular Formula
C23H31BrN8O3
Molecular Weight
547.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BX-320
CAS Number702676-93-5
PubChem CID657138
IUPAC NameN'-[3-[[5-bromo-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidin-4-yl]amino]propyl]-2,2-dimethylpropanediamide
Molecular FormulaC23H31BrN8O3
Molecular Weight547.4
XLogP3
Topological Polar Surface Area154
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity734
SMILES
CC(C)(C(=O)N)C(=O)NCCCNC1=NC(=NC=C1Br)NC2=CC(=CC=C2)NC(=O)N3CCCC3
InChI
InChI=1S/C23H31BrN8O3/c1-23(2,19(25)33)20(34)27-10-6-9-26-18-17(24)14-28-21(31-18)29-15-7-5-8-16(13-15)30-22(35)32-11-3-4-12-32/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3,(H2,25,33)(H,27,34)(H,30,35)(H2,26,28,29,31)
InChIKey
ZNSULAZTNWFKEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BX-320
CAS: 702676-93-5
CID: 657138
Formula: C23H31BrN8O3
MW: 547.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.4
XLogP33
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass546.17025
Monoisotopic Mass546.17025
Topological Polar Surface Area154 Ų
Heavy Atom Count35
Formal Charge0
Complexity734
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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