Desmorpholinyl Navitoclax-NH-Me

• CAT Number: I014946
• CAS Number: 2365172-82-1
• Molecular Formula: C₄₄H₅₁ClF₃N₅O₅S₃
• Molecular Weight: 918.55
• Purity: ≥95%
• IUPAC Name: 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-(methylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide
• InChI: InChI=1S/C44H51ClF3N5O5S3/c1-43(2)21-19-39(31-9-13-34(45)14-10-31)33(28-43)29-52-23-25-53(26-24-52)36-15-11-32(12-16-36)42(54)51-61(57,58)38-17-18-40(41(27-38)60(55,56)44(46,47)48)50-35(20-22-49-3)30-59-37-7-5-4-6-8-37/h4-18,27,35,49-50H,19-26,28-30H2,1-3H3,(H,51,54)/t35-/m1/s1
• InChIKey: CNTHZPROCQHGOX-PGUFJCEWSA-N
• SMILES: CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC(CCNC)CSC5=CC=CC=C5)S(=O)(=O)C(F)(F)F)C6=CC=C(C=C6)Cl)C

Desmorpholinyl Navitoclax-NH-Me（Cat No.:I014946） is a chemical compound that functions as a Bcl-xL inhibitor. It can be used as a component in the synthesis of a PROTAC BCL-XL degrader called XZ739 (HY-133557), which also incorporates a CRBN ligand for the E3 ubiquitin ligase. This degrader selectively induces the degradation of BCL-XL protein in cells, promoting apoptosis and offering potential therapeutic benefits in cancer treatment

Reference

[1]. Guangrong Zheng, et al. Agents de dégradation de protéines bcl-2 pour le traitement du cancer. WO2019144117A1.