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NVP-BBD130

CAT: 0013-GTR19185992-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185992-02Size:50 mg
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Description
NVP-BBD130 is a potent, orally bioavailable small molecule that acts as an ATP-competitive dual inhibitor of PI3K and mTOR. It is used in preclinical research to investigate oncogenic signaling pathways in both cellular assays and animal models of cancer.
CAS Number
853910-61-9
Field of Research
Signal Transduction
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
Storage Conditions
-20°C
Notes
For research use only.

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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