KSC-34 - ≥99% , CAS No.2226201-97-2

CAS: 2226201-97-2 Cat. No.: K648655 Fórmula: C₂₁H₂₈ClN₇O Peso molecular: 429.95 PubChem CID: 154573750

GRADE & PURITY ≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

KSC-34, a covalent modifier of protein disulfide isomerase A1 (PDIA1) , is also a selective and potent a-site inhibitor of PDIA1 with an IC 50 of 3.5 μM. KSC-34 displays a 30-fold selectivity for a domain over a′ domain and displays high selectivity for PDIA1 in complex proteomes with minimal engagement of other members of the PDI family

In Vitro

KSC-34 is selective for PDIA1 over other members of the PDI family, and other cellular cysteine-containing proteins. KSC-34 contains a (4-phenylbutyl)methylamine diversity element for optimized binding to the active site of the a domain of PDIA1 with a chloroacetamide electrophile for covalent modification of C53 on PDIA1. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 3.5 μM (a active site of PDIA1), 104.5 μM (a′ active site of PDIA1)

Specifications

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

KSC-34, a covalent modifier of protein disulfide isomerase A1 (PDIA1) , is also a selective and potent a-site inhibitor of PDIA1 with an IC 50 of 3.5 μM. KSC-34 displays a 30-fold selectivity for a domain over a′ domain and displays high selectivity for P

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99%

Nomes e identificadores

• Sorrisos canónicos: CN(CCCCC1=CC=CC=C1)C2=NC(=NC(=N2)NCC#C)NCCNC(=O)CCl
• IUPAC Name: 2-chloro-N-[2-[[4-[methyl(4-phenylbutyl)amino]-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
• InChIKey: QBGDVCZDAPRIMJ-UHFFFAOYSA-N
• INCHI: 1S/C21H28ClN7O/c1-3-12-24-19-26-20(25-14-13-23-18(30)16-22)28-21(27-19)29(2)15-8-7-11-17-9-5-4-6-10-17/h1,4-6,9-10H,7-8,11-16H2,2H3,(H,23,30)(H2,24,25,26,27,28)
• PubChem CID: 154573750
• Peso molecular: 429.95

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylbutylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylbutylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbutylamines
• Alternative Parents: Dialkylarylamines Secondary alkylarylamines N-aliphatic s-triazines Halo-S-triazines Heteroaromatic compounds Chloroacetamides Amino acids and derivatives Haloacetylenes and derivatives Azacyclic compounds Acetylides Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylbutylamine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Halo-s-triazine - N-aliphatic s-triazine - Secondary aliphatic/aromatic amine - Aminotriazine - Amino-1,3,5-triazine - 1,3,5-triazine - Triazine - Chloroacetamide - Heteroaromatic compound - Tertiary amine - Carboxamide group - Amino acid or derivatives - Haloacetylene or derivatives - Acetylide - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
• 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

Propriedades químicas e físicas

• Solubilidade: DMSO : 100 mg/mL (232.59 mM; Need ultrasonic)

Perguntas frequentes

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

The CAS Number is 2226201-97-2, the molecular formula is C21H28ClN7O, and the molecular weight is 429.95 g/mol. InChIKey QBGDVCZDAPRIMJ-UHFFFAOYSA-N.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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.