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AZD3458

CAT: 0013-GTR19205123-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205123-01Size:25 mg
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Description
AZD3458 is a highly selective PI3Kγ inhibitor, exhibiting potent activity (pIC50 9.1) over other PI3K isoforms. This selectivity makes it a valuable research tool for studying PI3Kγ's role in immuno-oncology and inflammatory diseases in both cellular and animal models.
CAS Number
2132961-46-5
Field of Research
Signal Transduction
Smiles
C[C@@H] (C1CC1) N1Cc2cc (cc (c2C1=O) S (C) (=O) =O) -c1sc (NC (C) =O) nc1C
Molecular Formula
C20H23N3O4S2
Molecular Weight
433.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S)-N-(5-(2-(1-cyclopropylethyl)-7-(methylsulfonyl)-1-oxoisoindolin-5-yl)-4-methylthiazol-2-yl)acetamide
CAS Number2132961-46-5
PubChem CID134611894
IUPAC NameN-[5-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
Molecular FormulaC20H23N3O4S2
Molecular Weight433.5
XLogP2
Topological Polar Surface Area133
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity779
SMILES
CC1=C(SC(=N1)NC(=O)C)C2=CC3=C(C(=C2)S(=O)(=O)C)C(=O)N(C3)[C@@H](C)C4CC4
InChI
InChI=1S/C20H23N3O4S2/c1-10-18(28-20(21-10)22-12(3)24)14-7-15-9-23(11(2)13-5-6-13)19(25)17(15)16(8-14)29(4,26)27/h7-8,11,13H,5-6,9H2,1-4H3,(H,21,22,24)/t11-/m0/s1
InChIKey
PAQUFWFUOVDUIO-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of (S)-N-(5-(2-(1-cyclopropylethyl)-7-(methylsulfonyl)-1-oxoisoindolin-5-yl)-4-methylthiazol-2-yl)acetamide
CAS: 2132961-46-5
CID: 134611894
Formula: C20H23N3O4S2
MW: 433.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.5
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass433.11299857
Monoisotopic Mass433.11299857
Topological Polar Surface Area133 Ų
Heavy Atom Count29
Formal Charge0
Complexity779
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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