CCG 50014 - Moligand™, ≥97% , Inhibitor of regulator of G-protein signaling 19;Inhibitor of regulator of G-protein signaling 4;Inhibitor of regulator of G-protein signaling 8, CAS No.883050-24-6, Inhibitor of regulator of G-protein signaling 19;Inhibitor of regulator of G-protein signaling 4;Inhibitor of regulator of G-protein signaling 8

CAS: 883050-24-6 Cat. No.: C129419 Molecular Weight: 316.35

GRADE & PURITY Moligand™, ≥97%

Synonyms

4-(4-Fluorobenzyl)-2-(p-tolyl)-1,2,4-thiadiazolidine-3,5-dione | 4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione | DTXSID30236951 | SCHEMBL13516928 | UNII-RA72G28VE9 | D83132 | HMS3651D08 | 4-((4-fluorophenyl)methyl)-2-(4-met

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

4-(4-Fluorobenzyl)-2-(p-tolyl)-1, 2, 4-thiadiazolidine-3, 5-dione | 4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-1, 2, 4-thiadiazolidine-3, 5-dione | DTXSID30236951 | SCHEMBL13516928 | UNII-RA72G28VE9 | D83132 | HMS3651D08 | 4-((4-fluorophenyl)methyl)-2-(4-met

Specifications & Purity

Moligand™, ≥97%

Biochemical and Physiological Mechanisms

Potent and selective inhibitor of regulator of G-protein signaling 4 (RGS4) protein (IC50values are 30.1 nM and 11.0μM for RGS4 and RGS8 respectively). Exhibits >20-fold selectivity for RGS4 over other RGS proteins.

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of regulator of G-protein signaling 19;Inhibitor of regulator of G-protein signaling 4;Inhibitor of regulator of G-protein signaling 8

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504760963
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760963
• Canonical Smiles: CC1=CC=C(C=C1)N2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F
• IUPAC Name: 4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
• InChIKey: QUIIIYITNGOFEI-UHFFFAOYSA-N
• INCHI: 1S/C16H13FN2O2S/c1-11-2-8-14(9-3-11)19-15(20)18(16(21)22-19)10-12-4-6-13(17)7-5-12/h2-9H,10H2,1H3
• Isomeric SMILES: CC1=CC=C(C=C1)N2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F
• WGK Germany: 3
• Molecular Weight: 316.35
• Reaxy-Rn: 22320416
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22320416&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Toluenes Aryl fluorides Thiadiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Fluorobenzene - Toluene - Aryl fluoride - Aryl halide - Azole - Thiadiazole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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(Human)

RGS19 Tchem Regulator of G-protein signaling 19 (1 Activities)

Discover Target: RGS19

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

RGS8 Tchem Regulator of G-protein signaling 8 (1 Activities)

Discover Target: RGS8

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

RGS4 Tchem Regulator of G-protein signaling 4 (3 Activities)

Discover Target: RGS4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)

Discover Target: CHRM3

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

HEK293 (82097 Activities)

Explore this target

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

RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

Discover Target: RGS4

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

RGS8 Tchem Regulator of G-protein signaling 8 (45 Activities)

Discover Target: RGS8

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

RGS19 Tchem Regulator of G-protein signaling 19 (1 Activities)

Discover Target: RGS19

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

RGS16 Tbio Regulator of G-protein signaling 16 (1 Activities)

Discover Target: RGS16

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

RGS17 Tchem Regulator of G-protein signaling 17 (69 Activities)

Discover Target: RGS17

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 31.64, Max Conc. mM: 100
• Molecular Weight: 316.400 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 316.068 Da
• Monoisotopic Mass: 316.068 Da
• Topological Polar Surface Area: 65.900 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 432.000
• 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