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PI3Kδ-IN-11

CAT: 0931-T62408-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62408-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2413257-51-7
Target
Apoptosis, Akt, Others, PI3K
Related Pathways
Others, PI3K/Akt/mTOR signaling, Apoptosis, Cytoskeletal Signaling
Bioactivity
PI3Kδ-IN-11 is a potent and selective PI3Kδ inhibitor (IC50: 27.5 nM) that dose-dependently blocks PI3K/Akt pathway activity. PI3Kδ-IN-11 can be used in B- or T-cell-associated malignancy studies.
Smiles
N(C=1C2=C(C=CC(=C2)C3=CC4=C(N=C3)C=CC=C4)N=CN1)C5=CC(NC(C=C)=O)=C(C)C=C5
Molecular Formula
C27H21N5O
Molecular Weight
431.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PI3Kdelta-IN-11
CAS Number2413257-51-7
PubChem CID162676331
IUPAC NameN-[2-methyl-5-[(6-quinolin-3-ylquinazolin-4-yl)amino]phenyl]prop-2-enamide
Molecular FormulaC27H21N5O
Molecular Weight431.5
XLogP5.4
Topological Polar Surface Area79.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity685
SMILES
CC1=C(C=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)C4=CC5=CC=CC=C5N=C4)NC(=O)C=C
InChI
InChI=1S/C27H21N5O/c1-3-26(33)32-25-14-21(10-8-17(25)2)31-27-22-13-18(9-11-24(22)29-16-30-27)20-12-19-6-4-5-7-23(19)28-15-20/h3-16H,1H2,2H3,(H,32,33)(H,29,30,31)
InChIKey
KWOOYTIEVXKZNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PI3Kdelta-IN-11
CAS: 2413257-51-7
CID: 162676331
Formula: C27H21N5O
MW: 431.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.5
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass431.17461031
Monoisotopic Mass431.17461031
Topological Polar Surface Area79.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity685
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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Alternative Products

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HY-153915-01PI3Kα-IN-11
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