SB 611812 - Moligand™, ≥99%(HPLC) , Antagonist of UT receptor, CAS No.345892-71-9, Antagonist of UT receptor

CAS: 345892-71-9 Cat. No.: S287259 Molecular Weight: 491.74 PubChem CID: 10278166

GRADE & PURITY Moligand™, ≥99%(HPLC)

Synonyms

2,6-Dichloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide | 2,6-dichloro-N-(4-chloro-3-(2-(dimethylamino)ethoxy)phenyl)-4-(trifluoromethyl)benzenesulfonamide | SB-611812

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2, 6-Dichloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide | 2, 6-dichloro-N-(4-chloro-3-(2-(dimethylamino)ethoxy)phenyl)-4-(trifluoromethyl)benzenesulfonamide | SB-611812

Specifications & Purity

Moligand™, ≥99%(HPLC)

Biochemical and Physiological Mechanisms

Urotensin-II (UT) antagonist. Inhibits urotensin-II-induced proliferation of neonatal cardiac fibroblasts. Attenuates cardiac dysfunction in a rat model of coronary artery ligation; decreases cardiomyocyte hypertrophy, ventricular dilatation and cardiac r

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

ANTAGONIST

Mechanism of action

Antagonist of UT receptor

Purity

≥99%(HPLC)

Names and Identifiers

• Pubchem Sid: 504765370
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765370
• Canonical Smiles: CN(C)CCOC1=C(C=CC(=C1)NS(=O)(=O)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)Cl
• IUPAC Name: 2,6-dichloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
• InChIKey: UIZHOFJFIOCYLH-UHFFFAOYSA-N
• INCHI: 1S/C17H16Cl3F3N2O3S/c1-25(2)5-6-28-15-9-11(3-4-12(15)18)24-29(26,27)16-13(19)7-10(8-14(16)20)17(21,22)23/h3-4,7-9,24H,5-6H2,1-2H3
• Isomeric SMILES: CN(C)CCOC1=C(C=CC(=C1)NS(=O)(=O)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)Cl
• PubChem CID: 10278166
• Molecular Weight: 491.74

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Trifluoromethylbenzenes Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Dichlorobenzenes Phenol ethers Alkyl aryl ethers Aryl chlorides Organosulfonamides Aminosulfonyl compounds Trialkylamines Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organofluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - 1,3-dichlorobenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Ether - Organofluoride - Organochloride - Organohalogen compound - Organosulfur compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: 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

Associated Targets(Human)

UTS2R Tchem Urotensin-2 receptor (1 Activities)

Discover Target: UTS2R

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

UTS2R Tchem Urotensin II receptor (1388 Activities)

Discover Target: UTS2R

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

Associated Targets(non-human)

Mus musculus (284745 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: 4.92, Max Conc. mM: 10
• Molecular Weight: 491.700 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 489.99 Da
• Monoisotopic Mass: 489.99 Da
• Topological Polar Surface Area: 67.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 622.000
• 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