PI4KIIIbeta-IN-10 - ≥99% , CAS No.1881233-39-1

CAS: 1881233-39-1 Cat. No.: P651260 Peso molecular: 475.6 PubChem CID: 71549093

GRADE & PURITY ≥99%

Synonyms

A908340 | SCHEMBL14851574 | N-[5-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide | AKOS030526681 | BS-52230 | AT14171 | NCGC00522552-01 | PI4KIII beta inhibitor 1 | HY-100198 | N-(5-(3-(N-(4-hydroxypheny

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

PI4KIIIbeta-IN-10 is a potent PI4KIIIβ inhibitor with an IC 50 of 3.6 nM.

In Vitro

PI4KIIIbeta-IN-10 (Compound 10) is a potent PI4KIIIβ inhibitor with very minor off-target inhibition of PI4KIIIβ related lipid kinases. PI4KIIIbeta-IN-10 shows weak inhibition of PI3KC2γ (IC 50 ~1 µM), PI3Kα (~10 µM), and PI4KIIIα (~3 µM), and <20% inhibition at concentrations up to 20 µM for PI4K2α, PI4K2β, and PI3Kβ. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:PI4KIIIβ 3.6 nM (IC 50 ) PI4KIIIα 3 μM (IC 50 ) PI3Kδ 720 nM (IC 50 ) PI3KC2γ 1 μM (IC 50 ) PI3Kα 10 μM (IC 50 ) PI3Kγ 20 μM (IC 50 )

Specifications

Sinónimos

A908340 | SCHEMBL14851574 | N-[5-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1, 3-thiazol-2-yl]-2, 2-dimethylpropanamide | AKOS030526681 | BS-52230 | AT14171 | NCGC00522552-01 | PI4KIII beta inhibitor 1 | HY-100198 | N-(5-(3-(N-(4-hydroxypheny

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

PI4KIIIbeta-IN-10 is a potent PI4KIIIβ inhibitor with an IC 50 of 3.6 nM.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(SC(=N1)NC(=O)C(C)(C)C)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3=CC=C(C=C3)O
• IUPAC Name: N-[5-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
• InChIKey: PLUYFBRIGUAKBR-UHFFFAOYSA-N
• INCHI: 1S/C22H25N3O5S2/c1-13-19(31-21(23-13)24-20(27)22(2,3)4)14-6-11-17(30-5)18(12-14)32(28,29)25-15-7-9-16(26)10-8-15/h6-12,25-26H,1-5H3,(H,23,24,27)
• Isómeros SMILES: CC1=C(SC(=N1)NC(=O)C(C)(C)C)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3=CC=C(C=C3)O
• CAS alternativo: 1881233-39-1
• PubChem CID: 71549093
• Peso molecular: 475.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Sulfanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds 2,4,5-trisubstituted thiazoles Anisoles Phenoxy compounds Methoxybenzenes N-arylamides Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Organosulfonic acid amide - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• 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

Objetivos asociados (humanos)

PIK3CD Tclin PI3-kinase p110-delta subunit (6699 Activities)

Discover Target: PIK3CD

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PI4K2B Tbio PI4-kinase type II beta (4 Activities)

Discover Target: PI4K2B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PI4K2A Tbio PI4-kinase type II (62 Activities)

Discover Target: PI4K2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PIK3CG Tclin PI3-kinase p110-gamma subunit (5411 Activities)

Discover Target: PIK3CG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PIK3CB Tchem PI3-kinase p110-beta subunit (4044 Activities)

Discover Target: PIK3CB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PIK3C3 Tchem Phosphatidylinositol 3-kinase catalytic subunit type 3 (535 Activities)

Discover Target: PIK3C3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PIK3C2G Tchem Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing subunit gamma (327 Activities)

Discover Target: PIK3C2G

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

PIK3CA PI3-kinase p110-alpha subunit (51 Activities)

Discover Target: PIK3CA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hepatitis C virus (23859 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 125 mg/mL (262.84 mM; Need ultrasonic)
• Peso molecular: 475.600 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 475.124 Da
• Monoisotopic Mass: 475.124 Da
• Topological Polar Surface Area: 154.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 744.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1