Desmorpholinyl Navitoclax-NH-Me is a Bcl-xL inhibitor. Desmorpholinyl Navitoclax-NH-Me and a CRBN ligand for the E3 ubiquitin ligase can be used in the synthesis of PROTAC BCL-XL degrader XZ739 (HY-133557).

Product information

CAS Number: 2365172-82-1

Molecular Weight: 918.55

Formula: C44H51ClF3N5O5S3

Chemical Name: 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-(4-{[(2R)-4-(methylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-trifluoromethanesulfonylbenzenesulfonyl)benzamide

Smiles: CC1(C)CC(CN2CCN(CC2)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C2=CC(=C(C=C2)N[C@@H](CSC2C=CC=CC=2)CCNC)S(=O)(=O)C(F)(F)F)=C(CC1)C1C=CC(Cl)=CC=1

InChiKey: CNTHZPROCQHGOX-PGUFJCEWSA-N

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

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: DMSO : 100 mg/mL (108.87 mM; Need ultrasonic).

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

Products are for research use only. Not for human use.