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FD2056

CAT: 0931-T79370-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T79370-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2685870-87-3
Target
PI3K
Related Pathways
PI3K/Akt/mTOR signaling
Bioactivity
FD2056 is a potent, orally active PI3K inhibitor, with IC50 values of 0.30, 0.80, 1.10, and 0.42 nM against PI3Kα, PI3Kβ, PI3Kγ, and PI3Kδ, respectively. Additionally, it exhibits inhibitory effects on CDK2-CyclinA2 and CDK4-CyclinD3 with IC50s of 115.95 nM and 2782.15 nM. FD2056 effectively inhibits the proliferation of various breast cancer cell lines, such as MDA-MB-231, MDA-MB-468, and MCF-7, with IC50s of 1.06 μM, 0.04 μM, and 1.40 μM, respectively. The compound also promotes apoptosis in cancerous cells and has been shown to suppress tumor growth [1].
Smiles
NC1=CC(C=2C=3C(NC2)=NC=C(C3)C=4C=C(NS(=O)(=O)C5=CC=CC=C5)C(Cl)=NC4)=CC=N1
Molecular Formula
C23H17ClN6O2S
Molecular Weight
476.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[5-[3-(2-amino-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-chloro-3-pyridinyl]benzenesulfonamide
CAS Number2685870-87-3
PubChem CID156782693
IUPAC NameN-[5-[3-(2-amino-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-chloro-3-pyridinyl]benzenesulfonamide
Molecular FormulaC23H17ClN6O2S
Molecular Weight476.9
XLogP3.6
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity761
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC(=C2)C3=CC4=C(NC=C4C5=CC(=NC=C5)N)N=C3)Cl
InChI
InChI=1S/C23H17ClN6O2S/c24-22-20(30-33(31,32)17-4-2-1-3-5-17)9-16(11-27-22)15-8-18-19(13-29-23(18)28-12-15)14-6-7-26-21(25)10-14/h1-13,30H,(H2,25,26)(H,28,29)
InChIKey
FGIXGBJDHZFADD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[5-[3-(2-amino-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-chloro-3-pyridinyl]benzenesulfonamide
CAS: 2685870-87-3
CID: 156782693
Formula: C23H17ClN6O2S
MW: 476.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.9
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass476.0822227
Monoisotopic Mass476.0822227
Topological Polar Surface Area135 Ų
Heavy Atom Count33
Formal Charge0
Complexity761
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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