SC75741 - ≥98% , CAS No.913822-46-5

CAS: 913822-46-5 Cat. No.: S413729 Fórmula: C₂₉H₂₃N₇O₂S₂ Peso molecular: 565.67 PubChem CID: 23661638

GRADE & PURITY ≥98%

Synonyms

4-Thiazolecarboxamide,N-(6-benzoyl-1H-benzimidazol-2-yl)-2-(1-thieno[3,2-d]pyrimidin-4-yl-4-piperidinyl)- | 4SC-301, N-(5-Benzoyl-1H-benzimidazol-2-yl)-2-(1-thieno[3,2-d]pyrimidin-4-yl-4-piperidinyl)-4-thiazolecarboxamide | N-(6-Benzoyl-1H-benzimidazol-2-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

SC75741 SC75741 is a potent NF-κB inhibitor with EC50 of 200 nM. SC75741 efficiently blocks influenza virus propagation.

Targets

NF-κB (Cell-based NF-κB reporter gene assay) 200 nM(EC50)

In vitro

SC75741 shows immunosuppressive activity by inhibiting human PBMC proliferation with IC50 of 2.2 μM. SC75741 inhibits replication of influenza A and B viruses by inhibiting NF-κB-mediated signalling on a transcriptional level. Moreover, SC75741 shows a high barrier for development of resistant virus variants.

In vivo

SC75741 (15 mg/kg i.p.) reduces virus replication and cytokine expression in mice lungs after H5N1 influenza virus infection.

Cell Research(from reference)

Cell lines：Human PBMCs 

Concentrations：~50 μM 

Incubation Time：48 hours 

Specifications

Sinónimos

4-Thiazolecarboxamide,N-(6-benzoyl-1H-benzimidazol-2-yl)-2-(1-thieno[3,2-d]pyrimidin-4-yl-4-piperidinyl)- | 4SC-301, N-(5-Benzoyl-1H-benzimidazol-2-yl)-2-(1-thieno[3,2-d]pyrimidin-4-yl-4-piperidinyl)-4-thiazolecarboxamide | N-(6-Benzoyl-1H-benzimidazol-2-

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

SC75741 is a potent NF-κB inhibitor with EC50 of 200 nM. SC75741 efficiently blocks influenza virus propagation.SC75741 (4SC-301; V1810) is a potent NF-kappaB (NF-κB) inhibitor (IC50 = 200 nM against 10 ng/mL TNF-α-induced NF-κB reporter gene expression i

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.

Pureza

≥98%

Propiedades del producto

• ALogP: 5.57
• Recuento HBD: 2
• Enlace rotable: 6

Nombres e identificadores

• Pubchem Sid: 488200366
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200366
• Sonrisas canónicas: C1CN(CCC1C2=NC(=CS2)C(=O)NC3=NC4=C(N3)C=C(C=C4)C(=O)C5=CC=CC=C5)C6=NC=NC7=C6SC=C7
• IUPAC Name: N-(6-benzoyl-1H-benzimidazol-2-yl)-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
• InChIKey: QNZVBFMXWNWVKG-UHFFFAOYSA-N
• INCHI: 1S/C29H23N7O2S2/c37-24(17-4-2-1-3-5-17)19-6-7-20-22(14-19)34-29(33-20)35-27(38)23-15-40-28(32-23)18-8-11-36(12-9-18)26-25-21(10-13-39-25)30-16-31-26/h1-7,10,13-16,18H,8-9,11-12H2,(H2,33,34,35,38)
• Isómeros SMILES: C1CN(CCC1C2=NC(=CS2)C(=O)NC3=NC4=C(N3)C=C(C=C4)C(=O)C5=CC=CC=C5)C6=NC=NC7=C6SC=C7
• PubChem CID: 23661638
• Peso molecular: 565.67

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Aryl-phenylketones Thienopyrimidines Benzimidazoles Thiazolecarboxamides 2-heteroaryl carboxamides Dialkylarylamines Benzoyl derivatives 2,4-disubstituted thiazoles Aminopyrimidines and derivatives Piperidines Imidolactams Thiophenes Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Benzimidazole - Thienopyrimidine - 2-heteroaryl carboxamide - Benzoyl - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Aryl ketone - Dialkylarylamine - Aminopyrimidine - 2,4-disubstituted 1,3-thiazole - Imidolactam - Pyrimidine - Piperidine - Azole - Thiophene - Heteroaromatic compound - Thiazole - Imidazole - Secondary carboxylic acid amide - Ketone - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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)

JAK3 Tclin Tyrosine-protein kinase JAK3 (8349 Activities)

Discover Target: JAK3

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

JAK1 Tclin Tyrosine-protein kinase JAK1 (8569 Activities)

Discover Target: JAK1

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

JAK2 Tclin Tyrosine-protein kinase JAK2 (12915 Activities)

Discover Target: JAK2

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

PBMC (10003 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: Solubility (25°C) In vitro DMSO: 35 mg/mL warmed with 50ºC Water: bath (61.87 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO (mg/ml) Solubilidad máxima: 35
• DMSO (mM) Solubilidad máxima: 61.8735305
• Agua (mg/ml) Solubilidad máxima: ＜1
• Peso molecular: 565.700 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 565.135 Da
• Monoisotopic Mass: 565.135 Da
• Topological Polar Surface Area: 173.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 915.000
• 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