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HS271

CAT: 0804-HY-131903-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-131903-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HS271 is a highly potent, orally active and selective IRAK4 inhibitor, with an IC50 of 7.2 μM. HS271 exhibits superior enzymatic and cellular activities, as well as excellent pharmacokinetic properties[1].
CAS Number
2410393-15-4
UNSPSC
12352005
Target
IRAK
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/hs271.html
Purity
99.92
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(NC1=CC2=CN(CCN(C)C)N=C2C=C1C(C)(O)C)C3=NC(C(F)(F)F)=CC=C3
Molecular Formula
C21H24F3N5O2
Molecular Weight
435.44
References & Citations
[1]Wenqiang Zhai, et al. Discovery and optimization of a potent and selective indazolamine series of IRAK4 inhibitors. Bioorg Med Chem Lett. 2020 Nov 24;31:127686.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
IRAK4

Chemical Information

CID 146386401
CAS Number2410393-15-4
PubChem CID146386401
IUPAC NameN-[2-[2-(dimethylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
Molecular FormulaC21H24F3N5O2
Molecular Weight435.4
XLogP2.8
Topological Polar Surface Area83.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity631
SMILES
CC(C)(C1=CC2=NN(C=C2C=C1NC(=O)C3=NC(=CC=C3)C(F)(F)F)CCN(C)C)O
InChI
InChI=1S/C21H24F3N5O2/c1-20(2,31)14-11-16-13(12-29(27-16)9-8-28(3)4)10-17(14)26-19(30)15-6-5-7-18(25-15)21(22,23)24/h5-7,10-12,31H,8-9H2,1-4H3,(H,26,30)
InChIKey
QAOWCAZEVIIQTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 146386401
CAS: 2410393-15-4
CID: 146386401
Formula: C21H24F3N5O2
MW: 435.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.4
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass435.18820951
Monoisotopic Mass435.18820951
Topological Polar Surface Area83.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity631
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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