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AS 2444697

CAT: 0013-GTR19217866-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19217866-02Size:1 g
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Description
A potent, selective, orally bioavailable IRAK-4 inhibitor that potently inhibits human and rat IRAK-4 activity with subnanomolar order, >30-fold selectivity over IRAK-1; inhibited IL-1β- or TLR ligand lipopolysaccharide (LPS) -induced IL-6 production in human lung alveolar epithelial cells, fibroblast-like synoviocytes, and peripheral blood mononuclear cells; significantly reduces urinary protein excretion and preventd the development of glomerulosclerosis and interstitial fibrosis without affecting the blood pressure in mice model of chronic kidney disease.
CAS Number
1287665-60-4
Product Name Alternative
AS2444697 | AS-2444697
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : ≥ 12.5 mg/mL (28.88 mM)
Smiles
CC1=NC=CC (=C1) C2=NC (=CO2) C (=O) NC3=CN (N=C3C (=O) N) C4CCOCC4.Cl
Molecular Formula
C19H21ClN6O4
Molecular Weight
432.865
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
N-[3-carbamoyl-1- (tetrahydro-2H-pyran-4-yl) -1H-pyrazol-4-yl]-2- (2-methylpyridin-4-yl) -1,3-oxazole-4-carboxamide hydrochloride

Chemical Information

N-(3-carbamoyl-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-2-(2-methylpyridin-4-yl)oxazole-4-carboxamide hydrochloride
CAS Number1287665-60-4
PubChem CID118719434
IUPAC NameN-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
Molecular FormulaC19H21ClN6O4
Molecular Weight432.9
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity601
SMILES
CC1=NC=CC(=C1)C2=NC(=CO2)C(=O)NC3=CN(N=C3C(=O)N)C4CCOCC4.Cl
InChI
InChI=1S/C19H20N6O4.ClH/c1-11-8-12(2-5-21-11)19-23-15(10-29-19)18(27)22-14-9-25(24-16(14)17(20)26)13-3-6-28-7-4-13;/h2,5,8-10,13H,3-4,6-7H2,1H3,(H2,20,26)(H,22,27);1H
InChIKey
FGNHLIIFEDYNFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-carbamoyl-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-2-(2-methylpyridin-4-yl)oxazole-4-carboxamide hydrochloride
CAS: 1287665-60-4
CID: 118719434
Formula: C19H21ClN6O4
MW: 432.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass432.1312809
Monoisotopic Mass432.1312809
Topological Polar Surface Area138 Ų
Heavy Atom Count30
Formal Charge0
Complexity601
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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A17186-50AS 2444697 50mg

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