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PI3Kα-IN-24

CAT: 0804-HY-116563Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-116563Size:1 Each
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Description
PI3Kα-IN-24 (WR23) is a PI3Kα inhibitor with an IC50 of 0.025 μM and exhibits a significant pAktSer473 suppression effect. PI3Kα-IN-24 can be utilized in cancer research[1].
CAS Number
1350960-66-5
UNSPSC
12352005
Target
PI3K
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pi3kα-in-24.html
Smiles
O=S(C1=CC=C(C=C1)Br)(C2=NC3=C(N=C2N4CCC(CC4)O)C=CC=C3)=O
Molecular Formula
C19H18BrN3O3S
Molecular Weight
448.33
References & Citations
[1]Wu P, et al. Discovery of novel 2-piperidinol-3- (arylsulfonyl) quinoxalines as phosphoinositide 3-kinase α (PI3Kα) inhibitors. Bioorg Med Chem. 2012 May 1;20 (9) :2837-44.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PI3Kα

Chemical Information

1-[3-[(4-Bromophenyl)sulfonyl]-2-quinoxalinyl]-4-piperidinol
CAS Number1350960-66-5
PubChem CID70695983
IUPAC Name1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol
Molecular FormulaC19H18BrN3O3S
Molecular Weight448.3
XLogP3.4
Topological Polar Surface Area91.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity598
SMILES
C1CN(CCC1O)C2=NC3=CC=CC=C3N=C2S(=O)(=O)C4=CC=C(C=C4)Br
InChI
InChI=1S/C19H18BrN3O3S/c20-13-5-7-15(8-6-13)27(25,26)19-18(23-11-9-14(24)10-12-23)21-16-3-1-2-4-17(16)22-19/h1-8,14,24H,9-12H2
InChIKey
RGQAORGLDQFYED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[3-[(4-Bromophenyl)sulfonyl]-2-quinoxalinyl]-4-piperidinol
CAS: 1350960-66-5
CID: 70695983
Formula: C19H18BrN3O3S
MW: 448.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.3
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass447.02523
Monoisotopic Mass447.02523
Topological Polar Surface Area91.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity598
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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