LASSBio-881

LASSBio-881
Identifiers
	IUPAC name N'-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-6-nitro-1,3-benzodioxole-5-carbohydrazide;
CAS Number	929563-84-8 ;
PubChem CID	16721055;
ChemSpider	23293401;
ChEMBL	ChEMBL234619;
Chemical and physical data
Formula	C23H27N3O6
Molar mass	441.484 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES Oc1c(C(C)(C)C)cc(cc1C(C)(C)C)\C=N\NC(=O)c2cc3OCOc3cc2[N](=O)=O;
	InChI InChI=1S/C23H27N3O6/c1-22(2,3)15-7-13(8-16(20(15)27)23(4,5)6)11-24-25-21(28)14-9-18-19(32-12-31-18)10-17(14)26(29)30/h7-11,27H,12H2,1-6H3,(H,25,28)/b24-11+; Key:XEYZVZBNMMRXSN-BHGWPJFGSA-N;

LASSBio-881 is a drug which acts as both a non-selective partial agonist of the CB₁ and CB₂ cannabinoid receptors, and also as an antagonist of the TRPV1 receptor, as well as having antioxidant effects. It has potent anti-inflammatory and anti-hyperalgesic effects in animal studies.^[1]^[2]

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Identifiers

IUPAC name N'-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-6-nitro-1,3-benzodioxole-5-carbohydrazide
CAS Number	929563-84-8^Y
PubChem CID	16721055
ChemSpider	23293401
ChEMBL	ChEMBL234619
Chemical and physical data
Formula	C₂₃H₂₇N₃O₆
Molar mass	441.484 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES Oc1c(C(C)(C)C)cc(cc1C(C)(C)C)\C=N\NC(=O)c2cc3OCOc3cc2[N](=O)=O
InChI InChI=1S/C23H27N3O6/c1-22(2,3)15-7-13(8-16(20(15)27)23(4,5)6)11-24-25-21(28)14-9-18-19(32-12-31-18)10-17(14)26(29)30/h7-11,27H,12H2,1-6H3,(H,25,28)/b24-11+ Key:XEYZVZBNMMRXSN-BHGWPJFGSA-N