SNIPER(BRD)-1 - ≥99% , CAS No.2095244-54-3

CAS: 2095244-54-3 Cat. No.: S649505 Formula: C₅₃H₆₆ClN₉O₈S₂ Molecular Weight: 1056.73 PubChem CID: 155885782

GRADE & PURITY ≥99%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

SNIPER(BRD)-1, consists of an IAP antagonist LCL-161 derivative and a BET inhibitor, (+)-JQ-1, connected by a linker. SNIPER(BRD)-1 induces the degradation of BRD4 via the ubiquitin-proteasome pathway. SNIPER(BRD)-1 also degrades cIAP1 , cIAP2 and XIAP with IC 50 s of 6.8 nM, 17 nM, and 49nM, respectively

Form:Solid

IC50& Target:BRD4 cIAP1 6.8 nM (IC 50 ) cIAP2 17 nM (IC 50 ) XIAP 49 nM (Ki) SNIPER

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

SNIPER(BRD)-1, consists of an IAP antagonist LCL-161 derivative and a BET inhibitor, (+)-JQ-1, connected by a linker. SNIPER(BRD)-1 induces the degradation of BRD4 via the ubiquitin-proteasome pathway. SNIPER(BRD)-1 also degrades cIAP1 , cIAP2 and XIAP wi

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCOCCOCCOCCOC4=CC=CC(=C4)C(=O)C5=CSC(=N5)C6CCCN6C(=O)C(C7CCCCC7)NC(=O)C(C)NC)C8=CC=C(C=C8)Cl)C
• IUPAC Name: N-[2-[2-[4-[3-[2-[2-[2-[2-[[2-[7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]benzoyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
• InChIKey: FVDSZRCRCFMYQV-UHFFFAOYSA-N
• INCHI: 1S/C53H66ClN9O8S2/c1-32-34(3)73-53-45(32)46(37-16-18-39(54)19-17-37)57-41(49-61-60-35(4)63(49)53)30-44(64)56-20-22-68-23-24-69-25-26-70-27-28-71-40-14-9-13-38(29-40)48(65)42-31-72-51(58-42)43-15-10-21-62(43)52(67)47(36-11-7-6-8-12-36)59-50(66)33(2)55-5/h9,13-14,16-19,29,31,33,36,41,43,47,55H,6-8,10-12,15,20-28,30H2,1-5H3,(H,56,64)(H,59,66)
• PubChem CID: 155885782
• Molecular Weight: 1056.73

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: N-acyl-alpha amino acids and derivatives Aryl-phenylketones Alpha amino acid amides Alanine and derivatives Thienodiazepines Phenoxy compounds Phenol ethers N-acylpyrrolidines Benzoyl derivatives Chlorobenzenes Alkyl aryl ethers 2,4-disubstituted thiazoles 1,4-diazepines Aryl chlorides Triazoles Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Ketimines Propargyl-type 1,3-dipolar organic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-dipeptide - Aryl-phenylketone - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - Thieno-para-diazepine - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Phenoxy compound - Aryl ketone - Phenol ether - N-acylpyrrolidine - Benzoyl - Halobenzene - Chlorobenzene - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - Para-diazepine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - 1,2,4-triazole - Thiophene - Thiazole - Tertiary carboxylic acid amide - Pyrrolidine - Azole - Secondary carboxylic acid amide - Ketone - Ketimine - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Carbonyl group - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• 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 : 66.67 mg/mL (63.09 mM; Need ultrasonic)

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2095244-54-3, the molecular formula is C53H66ClN9O8S2, and the molecular weight is 1056.73 g/mol. InChIKey FVDSZRCRCFMYQV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.