Desmorpholinyl Navitoclax-NH-Me - ≥99% , CAS No.2365172-82-1

CAS: 2365172-82-1 Cat. No.: D648962 Molecular Weight: 918.55 PubChem CID: 139331525

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

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 .

Form:Solid

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

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 ).

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical 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
• 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
• InChIKey: CNTHZPROCQHGOX-PGUFJCEWSA-N
• 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
• PubChem CID: 139331525
• Molecular Weight: 918.55

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Benzenesulfonamides Aminobenzoic acids and derivatives Thiophenol ethers Phenylalkylamines Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Secondary alkylarylamines N-alkylpiperazines Chlorobenzenes Alkylarylthioethers Sulfonyls Organosulfonic acids and derivatives Trihalomethanes Trialkylamines Amino acids and derivatives Sulfenyl compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylpiperazine - Phenylpiperazine - Benzenesulfonamide - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Aryl thioether - Phenylalkylamine - Aniline or substituted anilines - Dialkylarylamine - Thiophenol ether - Tertiary aliphatic/aromatic amine - Benzoyl - Alkylarylthioether - N-alkylpiperazine - Secondary aliphatic/aromatic amine - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Trihalomethane - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Azacycle - Sulfenyl compound - Thioether - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

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