XJB-5-131

XJB-5-131
Legal status
Legal status	experimental;
Identifiers
CAS Number	866404-31-1;
PubChem CID	11693686;
ChemSpider	9868412;
ChEBI	CHEBI:173099;
Chemical and physical data
Formula	C53H80N7O9
Molar mass	959.263 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC(C)CC(C=CC(Cc1ccccc1)C(=O)N2CCCC2C(=O)NC(C(C)C)C(=O)NC(CCCNC(=O)OCc3ccccc3)C(=O)NC4CC(N(C(C4)(C)C)[O])(C)C)NC(=O)OC(C)(C)C;
	InChI InChI=1S/C53H80N7O9/c1-35(2)30-40(56-50(66)69-51(5,6)7)27-26-39(31-37-20-14-12-15-21-37)48(64)59-29-19-25-43(59)46(62)58-44(36(3)4)47(63)57-42(24-18-28-54-49(65)68-34-38-22-16-13-17-23-38)45(61)55-41-32-52(8,9)60(67)53(10,11)33-41/h12-17,20-23,26-27,35-36,39-44H,18-19,24-25,28-34H2,1-11H3,(H,54,65)(H,55,61)(H,56,66)(H,57,63)(H,58,62)/b27-26+/t39-,40-,42+,43+,44+/m1/s1; Key:VDQKIDYOPUMJGQ-VQPCLXHQSA-N;

XJB-5-131 is a synthetic antioxidant. In a mouse model of Huntington's disease, it has been shown to reduce oxidative damage to mitochondrial DNA, and to maintain mitochondrial DNA copy number.^[1] XJB-5-131 also strongly protects against ferroptosis, a form of iron-dependent regulated cell death.^[2]

References

Legal status

Legal status	experimental
Identifiers
CAS Number	866404-31-1
PubChem CID	11693686
ChemSpider	9868412
ChEBI	CHEBI:173099
Chemical and physical data
Formula	C₅₃H₈₀N₇O₉
Molar mass	959.263 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC(C)CC(C=CC(Cc1ccccc1)C(=O)N2CCCC2C(=O)NC(C(C)C)C(=O)NC(CCCNC(=O)OCc3ccccc3)C(=O)NC4CC(N(C(C4)(C)C)[O])(C)C)NC(=O)OC(C)(C)C
InChI InChI=1S/C53H80N7O9/c1-35(2)30-40(56-50(66)69-51(5,6)7)27-26-39(31-37-20-14-12-15-21-37)48(64)59-29-19-25-43(59)46(62)58-44(36(3)4)47(63)57-42(24-18-28-54-49(65)68-34-38-22-16-13-17-23-38)45(61)55-41-32-52(8,9)60(67)53(10,11)33-41/h12-17,20-23,26-27,35-36,39-44H,18-19,24-25,28-34H2,1-11H3,(H,54,65)(H,55,61)(H,56,66)(H,57,63)(H,58,62)/b27-26+/t39-,40-,42+,43+,44+/m1/s1 Key:VDQKIDYOPUMJGQ-VQPCLXHQSA-N