Navitoclax-d8 - ≥99% , CAS No.1217620-38-6

CAS: 1217620-38-6 Cat. No.: N649762 Molecular Weight: 982.66

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Navitoclax-d 8 is the deuterium labeled Navitoclax. Navitoclax (ABT-263) is a potent and orally active Bcl-2 family protein inhibitor that binds to multiple anti-apoptotic Bcl-2 family proteins, such as Bcl-xL , Bcl-2 and Bcl-w , with a Ki of less than 1 nM.

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Navitoclax-d 8 is the deuterium labeled Navitoclax. Navitoclax (ABT-263) is a potent and orally active Bcl-2 family protein inhibitor that binds to multiple anti-apoptotic Bcl-2 family proteins, such as Bcl-xL , Bcl-2 and Bcl-w , with a Ki of less than 1

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(CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C
• IUPAC Name: 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide
• InChIKey: JLYAXFNOILIKPP-YSUYZUONSA-N
• INCHI: 1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1/i26D2,27D2,28D2,29D2
• Isomeric SMILES: [2H]C1(C(OC(C(N1CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F)([2H])[2H])([2H])[2H])([2H])[2H])[2H]
• Molecular Weight: 982.66
• Reaxy-Rn: 15630714
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15630714&ln=

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 Aminobenzenesulfonamides Aminobenzoic acids and derivatives Benzenesulfonyl compounds Thiophenol ethers Aniline and substituted anilines Phenylalkylamines Benzoyl derivatives Dialkylarylamines Alkylarylthioethers Secondary alkylarylamines Chlorobenzenes N-alkylpiperazines Aryl chlorides Morpholines Organosulfonic acids and derivatives Aminosulfonyl compounds Sulfones Trialkylamines Amino acids and derivatives Trihalomethanes Dialkyl ethers Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organochlorides Organofluorides Alkyl fluorides Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Aminobenzenesulfonamide - Aminobenzoic acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Phenylalkylamine - Aniline or substituted anilines - Dialkylarylamine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - N-alkylpiperazine - Alkylarylthioether - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Oxazinane - Morpholine - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfone - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Trihalomethane - Oxacycle - Azacycle - Thioether - Sulfenyl compound - Secondary amine - Carboxylic acid derivative - Dialkyl ether - Ether - Alkyl fluoride - Organic oxygen compound - Halomethane - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Alkyl halide - Organooxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - 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