M62812

M62812
Identifiers
	IUPAC name 6-(2-aminophenoxy)-1,2-benzothiazol-3-amine;
CAS Number	613262-61-6 ;
PubChem CID	44224215;
ChemSpider	24691458;
UNII	D98NBX7QJ5;
ChEMBL	ChEMBL458612;
CompTox Dashboard (EPA)	DTXSID701336699 ;
Chemical and physical data
Formula	C13H11N3OS
Molar mass	257.31 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C1=CC=C(C(=C1)N)OC2=CC3=C(C=C2)C(=NS3)N;
	InChI InChI=1S/C13H11N3OS/c14-10-3-1-2-4-11(10)17-8-5-6-9-12(7-8)18-16-13(9)15/h1-7H,14H2,(H2,15,16); Key:HQCTTYOADNAJJR-UHFFFAOYSA-N;

M62812 is a drug which acts as a potent and selective antagonist of toll-like receptor 4 (TLR4). In animal studies it blocks TLR4-mediated cytokine release and has antiinflammatory effects, showing efficacy in animal models of arthritis and septic shock.^[1]^[2]

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Identifiers

IUPAC name 6-(2-aminophenoxy)-1,2-benzothiazol-3-amine
CAS Number	613262-61-6^Y
PubChem CID	44224215
ChemSpider	24691458
UNII	D98NBX7QJ5
ChEMBL	ChEMBL458612
CompTox Dashboard (EPA)	DTXSID701336699
Chemical and physical data
Formula	C₁₃H₁₁N₃OS
Molar mass	257.31 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C1=CC=C(C(=C1)N)OC2=CC3=C(C=C2)C(=NS3)N
InChI InChI=1S/C13H11N3OS/c14-10-3-1-2-4-11(10)17-8-5-6-9-12(7-8)18-16-13(9)15/h1-7H,14H2,(H2,15,16) Key:HQCTTYOADNAJJR-UHFFFAOYSA-N