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Roginolisib

CAT: 0804-HY-135827-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-135827-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Roginolisib (MSC2360844; IOA-244) is a potent, orally active and selective PI3Kδ inhibitor, with an IC50 of 145 nM. Roginolisib shows highly selective against a panel of 278 additional kinases[1].
CAS Number
1305267-37-1
Product Name Alternative
MSC2360844; IOA-244
UNSPSC
12352005
Target
PI3K
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/roginolisib.html
Purity
99.66
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=NN(C2=CC=C(CN3CCOCC3)C=C2)C(C4=CC=CC(F)=C45)=C1CS5(=O)=O)N6CCOCC6
Molecular Formula
C26H27FN4O5S
Molecular Weight
526.58
References & Citations
[1]Haselmayer P, et al. Characterization of Novel PI3Kδ Inhibitors as Potential Therapeutics for SLE and Lupus Nephritis in Pre-Clinical Studies. Front Immunol. 2014 May 22;5:233.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
PI3Kα; PI3Kβ; PI3Kδ

Chemical Information

Msc-2360844
CAS Number1305267-37-1
PubChem CID66580799
IUPAC Name[6-fluoro-1-[4-(morpholin-4-ylmethyl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
Molecular FormulaC26H27FN4O5S
Molecular Weight526.6
XLogP1.3
Topological Polar Surface Area102
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity914
SMILES
C1COCCN1CC2=CC=C(C=C2)N3C4=C(CS(=O)(=O)C5=C4C=CC=C5F)C(=N3)C(=O)N6CCOCC6
InChI
InChI=1S/C26H27FN4O5S/c27-22-3-1-2-20-24-21(17-37(33,34)25(20)22)23(26(32)30-10-14-36-15-11-30)28-31(24)19-6-4-18(5-7-19)16-29-8-12-35-13-9-29/h1-7H,8-17H2
InChIKey
NFHSJYKXENYICE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Msc-2360844
CAS: 1305267-37-1
CID: 66580799
Formula: C26H27FN4O5S
MW: 526.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.6
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass526.16861931
Monoisotopic Mass526.16861931
Topological Polar Surface Area102 Ų
Heavy Atom Count37
Formal Charge0
Complexity914
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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