ST-193 - Moligand™,≥99% , CAS No.489416-12-8

CAS: 489416-12-8 Cat. No.: S651102 Molecular Weight: 371.47 PubChem CID: 3697969

GRADE & PURITY Moligand™, ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

ST-193 is a potent broad-spectrum arenavirus inhibitor; inhibits Guanarito, Junin, Lassa and Machupo virus with IC 50 values of 0.44, 0.62, 1.4 and 3.1 nM, respectively.

In Vitro

ST-193 inhibits LASV pseudotypes with an IC 50 of 1.6 nM. ST-193 inhibits pseudotypes generated with other arenavirus envelopes as well, including the remaining four commonly associated with hemorrhagic fever (IC 50 s for Junín, Machupo, Guanarito, and Sabiá were in the 0.2 to 12 nM range) but exhibits no antiviral activity against pseudotypes incorporating either the GP from the LASV-related arenavirus lymphocytic choriomeningitis virus or the unrelated G protein from vesicular stomatitis virus, at concentrations of up to 10 μM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

ST-193 is found to be tolerated well when administered daily as an intraperitoneal injection of either 25 or 100 mg/kg/day for 14 days. ST-193-treated animals exhibit fewer signs of disease and enhance survival when compared to the ribavirin or vehicle groups. Body temperatures in all groups are elevated by day 9, but returned to normal by day 19 postinfection in the majority of ST-193-treated animals. ST-193 treatment mediates a 2- to 3-log reduction in viremia relative to vehicle-treated controls. The overall survival rate for the ST-193-treated guinea pigs is 62.5% (10/16) compared with 0% in the ribavirin (0/8) and vehicle (0/7) groups. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 0.44 nM (Guanarito), 0.62 nM (Junin), 1.4 nM (Lassa) and 3.1 nM (Machupo)

Specifications

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

ST-193 is a potent broad-spectrum arenavirus inhibitor; inhibits Guanarito, Junin, Lassa and Machupo virus with IC 50 values of 0.44, 0.62, 1.4 and 3.1 nM, respectively.

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.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(C)C1=CC=C(C=C1)CNC2=CC3=C(C=C2)N(C=N3)C4=CC=C(C=C4)OC
• IUPAC Name: 1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
• InChIKey: JPSZEXYTKSIPDW-UHFFFAOYSA-N
• INCHI: 1S/C24H25N3O/c1-17(2)19-6-4-18(5-7-19)15-25-20-8-13-24-23(14-20)26-16-27(24)21-9-11-22(28-3)12-10-21/h4-14,16-17,25H,15H2,1-3H3
• Isomeric SMILES: CC(C)C1=CC=C(C=C1)CNC2=CC3=C(C=C2)N(C=N3)C4=CC=C(C=C4)OC
• PubChem CID: 3697969
• MeSH Entry Terms: ST-193
• Molecular Weight: 371.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles
      • Subclass Phenylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: Phenylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzimidazoles
• Alternative Parents: Phenylimidazoles Bicyclic monoterpenoids Aromatic monoterpenoids Phenylpropanes Methoxyanilines Cumenes Phenylmethylamines Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Secondary alkylarylamines Alkyl aryl ethers Aralkylamines N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbenzimidazole - 1-phenylimidazole - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Cumene - Methoxyaniline - Phenylpropane - Anisole - Phenoxy compound - Benzylamine - Phenol ether - Methoxybenzene - Phenylmethylamine - Secondary aliphatic/aromatic amine - Aralkylamine - Alkyl aryl ether - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Azole - Azacycle - Secondary amine - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached 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

Associated Targets(non-human)

Lassa virus (234 Activities)

Explore this target

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

Junin virus (193 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (269.20 mM; Need ultrasonic)
• Molecular Weight: 371.500 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 371.2 Da
• Monoisotopic Mass: 371.2 Da
• Topological Polar Surface Area: 39.100 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 468.000
• 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