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PI3Kγ inhibitor 5

CAT: 0804-HY-139880Size: 1 EachDry Ice: NoHazardous: No
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Description
PI3Kγ inhibitor 5 is an inhibitor of phosphoinositide 3-kinase γ (PI3Kγ) with an IC50 value of 34 nM.
CAS Number
2566569-31-9
UNSPSC
12352005
Target
PI3K
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pi3kγ-inhibitor-5.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=C2N=C(C3=CC4=C(C(N([C@H](C5CC5)C)C4)=O)C(OC(F)F)=C3)C=CN2N=C1N)N[C@H]6CC[C@@](C)(O)CC6
Molecular Formula
C28H32F2N6O4
Molecular Weight
554.59
References & Citations
[1]Mata G, et al. Design, Synthesis, and Structure-Activity Relationship Optimization of Pyrazolopyrimidine Amide Inhibitors of Phosphoinositide 3-Kinase γ (PI3Kγ) . J Med Chem. 2021 Oct 21.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

PI3K|A inhibitor 5
CAS Number2566569-31-9
PubChem CID155384203
IUPAC Name2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(difluoromethoxy)-1-oxo-3H-isoindol-5-yl]-N-(4-hydroxy-4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular FormulaC28H32F2N6O4
Molecular Weight554.6
XLogP3.4
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity963
SMILES
C[C@@H](C1CC1)N2CC3=C(C2=O)C(=CC(=C3)C4=NC5=C(C(=NN5C=C4)N)C(=O)NC6CCC(CC6)(C)O)OC(F)F
InChI
InChI=1S/C28H32F2N6O4/c1-14(15-3-4-15)35-13-17-11-16(12-20(40-27(29)30)21(17)26(35)38)19-7-10-36-24(33-19)22(23(31)34-36)25(37)32-18-5-8-28(2,39)9-6-18/h7,10-12,14-15,18,27,39H,3-6,8-9,13H2,1-2H3,(H2,31,34)(H,32,37)/t14-,18?,28?/m0/s1
InChIKey
OUMVIVLVCKGULO-HVHLHXQKSA-N
Chemical Structure
2D Structure
2D structure of PI3K|A inhibitor 5
CAS: 2566569-31-9
CID: 155384203
Formula: C28H32F2N6O4
MW: 554.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight554.6
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass554.24530985
Monoisotopic Mass554.24530985
Topological Polar Surface Area135 Ų
Heavy Atom Count40
Formal Charge0
Complexity963
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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