Zabedosertib

Zabedosertib
Identifiers
	IUPAC name N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;
CAS Number	1931994-81-8;
PubChem CID	121364961;
IUPHAR/BPS	11415;
DrugBank	DB18767;
ChemSpider	101935510;
UNII	N1GRK350ZM;
KEGG	D96922;
ChEMBL	ChEMBL5429345;
Chemical and physical data
Formula	C21H22F3N3O4S
Molar mass	469.48 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES O=S(=O)(C)CCn1nc2cc(c(NC(=O)c3cc(ccc3)C(F)(F)F)cc2c1)C(O)(C)C;
	InChI InChI=1S/C20H21F3N4O4S/c1-19(2,29)13-10-15-12(11-27(26-15)7-8-32(3,30)31)9-16(13)25-18(28)14-5-4-6-17(24-14)20(21,22)23/h4-6,9-11,29H,7-8H2,1-3H3,(H,25,28); Key:OQAMEEFUUFJZRS-UHFFFAOYSA-N;

Zabedosertib (BAY 1834845) is an experimental drug which acts as a selective inhibitor of the enzyme interleukin‐1 receptor‐associated kinase 4 (IRAK4). It has antiinflammatory effects and is being researched for possible applications in treating inflammatory conditions of the skin.^[1]^[2]^[3]

CAS Number

1931994-81-8

PubChem CID

121364961

IUPHAR/BPS

11415

DrugBank

DB18767

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Zabedosertib

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Identifiers

IUPAC name N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CAS Number	1931994-81-8
PubChem CID	121364961
IUPHAR/BPS	11415
DrugBank	DB18767
ChemSpider	101935510
UNII	N1GRK350ZM
KEGG	D96922
ChEMBL	ChEMBL5429345
Chemical and physical data
Formula	C₂₁H₂₂F₃N₃O₄S
Molar mass	469.48 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES O=S(=O)(C)CCn1nc2cc(c(NC(=O)c3cc(ccc3)C(F)(F)F)cc2c1)C(O)(C)C
InChI InChI=1S/C20H21F3N4O4S/c1-19(2,29)13-10-15-12(11-27(26-15)7-8-32(3,30)31)9-16(13)25-18(28)14-5-4-6-17(24-14)20(21,22)23/h4-6,9-11,29H,7-8H2,1-3H3,(H,25,28) Key:OQAMEEFUUFJZRS-UHFFFAOYSA-N