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NVP-BBD130

CAT: 0931-T62603-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T62603-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
853910-61-9
Target
Others, PI3K, mTOR
Related Pathways
PI3K/Akt/mTOR signaling, Others
Bioactivity
NVP-BBD130 is a stable, ATP-competitive, potent, orally active inhibitor of PI3K and mTOR.
Smiles
O=C1N(C=2C=3C(N=CC2N1C)=CC=C(C#CC=4C=CC=NC4)C3)C5=CC=C(C(C#N)(C)C)C=C5
Molecular Formula
C28H21N5O
Molecular Weight
443.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nvp-bbd130
CAS Number853910-61-9
PubChem CID11751126
IUPAC Name2-methyl-2-[4-[3-methyl-2-oxo-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
Molecular FormulaC28H21N5O
Molecular Weight443.5
XLogP4.3
Topological Polar Surface Area73.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity884
SMILES
CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C#CC5=CN=CC=C5
InChI
InChI=1S/C28H21N5O/c1-28(2,18-29)21-9-11-22(12-10-21)33-26-23-15-19(6-7-20-5-4-14-30-16-20)8-13-24(23)31-17-25(26)32(3)27(33)34/h4-5,8-17H,1-3H3
InChIKey
ISHNPDWTQUXPSY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nvp-bbd130
CAS: 853910-61-9
CID: 11751126
Formula: C28H21N5O
MW: 443.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.5
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass443.17461031
Monoisotopic Mass443.17461031
Topological Polar Surface Area73.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity884
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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