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(S) -PI3K-IN-2

CAT: 0931-T206641-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T206641-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1403458-27-4
Target
PI3K
Related Pathways
PI3K/Akt/mTOR signaling
Bioactivity
(S) -PI3K-IN-2 is the enantiomer of PI3K-IN-2, functioning as a ΡΙ3Κβ/δ inhibitor with IC50 values of 0.198 and 0.282 μM, respectively. It can also inhibit the phosphorylation of AKT (ser473) in MDA-MB-468 cells, with an IC50 of 27 nM.
Smiles
C(=O)(C1=CC(=C2C(=C1)C(=O)C=C(O2)N3CCOCC3)[C@H]4N(CCC4)C5=CC(F)=CC(F)=C5)N6CCOCC6
Molecular Formula
C28H29F2N3O5
Molecular Weight
525.544
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-PI3K-IN-2
CAS Number1403458-27-4
PubChem CID66559245
IUPAC Name8-[(2S)-1-(3,5-difluorophenyl)pyrrolidin-2-yl]-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one
Molecular FormulaC28H29F2N3O5
Molecular Weight525.5
XLogP2.9
Topological Polar Surface Area71.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity899
SMILES
C1C[C@H](N(C1)C2=CC(=CC(=C2)F)F)C3=CC(=CC4=C3OC(=CC4=O)N5CCOCC5)C(=O)N6CCOCC6
InChI
InChI=1S/C28H29F2N3O5/c29-19-14-20(30)16-21(15-19)33-3-1-2-24(33)22-12-18(28(35)32-6-10-37-11-7-32)13-23-25(34)17-26(38-27(22)23)31-4-8-36-9-5-31/h12-17,24H,1-11H2/t24-/m0/s1
InChIKey
CPFXYHKMOTWOFK-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of (S)-PI3K-IN-2
CAS: 1403458-27-4
CID: 66559245
Formula: C28H29F2N3O5
MW: 525.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.5
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass525.20752736
Monoisotopic Mass525.20752736
Topological Polar Surface Area71.6 Ų
Heavy Atom Count38
Formal Charge0
Complexity899
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19258427-01(S) -PI3K-IN-2
HY-146159PI3K/HDAC-IN-2
HY-112286PI3Kγ inhibitor 2
HY-147912COX-2/PI3K-IN-2
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