Bexobrutideg

Bexobrutideg
Identifiers
	IUPAC name 3-[4-[1-[[1-[6-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide;
CAS Number	2649400-34-8;
PubChem CID	156464216;
ChemSpider	129152315;
UNII	HVD6HGW6JD;
KEGG	D13115;
Chemical and physical data
Formula	C42H54N12O5
Molar mass	806.973 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CN1CCN(C1=O)[C@@H]2CCCN(C2)C3=CN=C(C(=N3)NC4=CC=C(C=C4)C5CCN(CC5)CC6CCN(CC6)C7=CN=C(C=C7)C(=O)N[C@H]8CCC(=O)NC8=O)C(=O)N;
	InChI InChI=InChI=1S/C42H54N12O5/c1-50-21-22-54(42(50)59)32-3-2-16-53(26-32)35-24-45-37(38(43)56)39(48-35)46-30-6-4-28(5-7-30)29-14-17-51(18-15-29)25-27-12-19-52(20-13-27)31-8-9-33(44-23-31)40(57)47-34-10-11-36(55)49-41(34)58/h4-9,23-24,27,29,32,34H,2-3,10-22,25-26H2,1H3,(H2,43,56)(H,46,48)(H,47,57)(H,49,55,58)/t32-,34+/m1/s1; Key:HPTPDBYCFHFWJG-CWTKIQHKSA-N;

Bexobrutideg (NX-5948) is an investigational new drug that is being evaluated by Nurix Therapeutics for the treatment of relapsed and refractory B-cell malignancies, including chronic lymphocytic leukemia (CLL) and Waldenström macroglobulinemia. It is an orally bioavailable, brain-penetrant Bruton's tyrosine kinase degrader.^[1]

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Identifiers

IUPAC name 3-[4-[1-[[1-[6-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CAS Number	2649400-34-8
PubChem CID	156464216
ChemSpider	129152315
UNII	HVD6HGW6JD
KEGG	D13115
Chemical and physical data
Formula	C₄₂H₅₄N₁₂O₅
Molar mass	806.973 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CN1CCN(C1=O)[C@@H]2CCCN(C2)C3=CN=C(C(=N3)NC4=CC=C(C=C4)C5CCN(CC5)CC6CCN(CC6)C7=CN=C(C=C7)C(=O)N[C@H]8CCC(=O)NC8=O)C(=O)N
InChI InChI=InChI=1S/C42H54N12O5/c1-50-21-22-54(42(50)59)32-3-2-16-53(26-32)35-24-45-37(38(43)56)39(48-35)46-30-6-4-28(5-7-30)29-14-17-51(18-15-29)25-27-12-19-52(20-13-27)31-8-9-33(44-23-31)40(57)47-34-10-11-36(55)49-41(34)58/h4-9,23-24,27,29,32,34H,2-3,10-22,25-26H2,1H3,(H2,43,56)(H,46,48)(H,47,57)(H,49,55,58)/t32-,34+/m1/s1 Key:HPTPDBYCFHFWJG-CWTKIQHKSA-N