SB 657510 - ≥98%(HPLC) , CAS No.474960-44-6

CAS: 474960-44-6 Cat. No.: S287184 Molecular Weight: 505.81 EC Number: 663-526-5 PubChem CID: 11272107

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-BROMO-N-[4-CHLORO-3-[[(3R)-1-METHYL-3-PYRROLIDINYL]OXY]PHENYL]-4,5-DIMETHOXYBENZENESULFONAMIDE | HMS3413P20 | 2-Bromo-N-[4-chloro-3-((R)-1-methyl-pyrrolidin-3-yloxy)-phenyl]-4,5-dimethoxy-benzenesulfonamide | NCGC00370845-01 | SB 657510, >=98% (HPLC) |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product description：

SB-657510 is a selective urotensin II (UII) receptor (UT) antagonist. The Ki values are 61, 17, 30, 65 and 56 nM for human, monkey, cat, rat and mouse receptors, respectively. SB-657510 exerts anti-inflammatory effects by inhibiting UII-induced upregulation of inflammatory mediators such as adhesion molecules, cytokines, and tissue factor in human vascular endothelial cells.

Application：

SB 657510 may be used to study the urotensin II receptor-mediated signaling.

Specifications

Synonyms

2-BROMO-N-[4-CHLORO-3-[[(3R)-1-METHYL-3-PYRROLIDINYL]OXY]PHENYL]-4, 5-DIMETHOXYBENZENESULFONAMIDE | HMS3413P20 | 2-Bromo-N-[4-chloro-3-((R)-1-methyl-pyrrolidin-3-yloxy)-phenyl]-4, 5-dimethoxy-benzenesulfonamide | NCGC00370845-01 | SB 657510, >=98% (HPLC) |

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Selective urotensin-II (UT) receptor antagonist (Kivalues are 61, 17, 30, 65 and 56 nM at human, monkey, cat, rat and mouse receptors respectively). Inhibits U-II-induced intracellular Ca2+mobilization (IC50= 180 nM) and antagonizes the contractile action

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.

Action Type

ANTAGONIST

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504766232
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766232
• Canonical Smiles: CN1CCC(C1)OC2=C(C=CC(=C2)NS(=O)(=O)C3=C(C=C(C(=C3)OC)OC)Br)Cl
• IUPAC Name: 2-bromo-N-[4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]-4,5-dimethoxybenzenesulfonamide
• InChIKey: KQCZCINJGIRLCD-CYBMUJFWSA-N
• INCHI: 1S/C19H22BrClN2O5S/c1-23-7-6-13(11-23)28-16-8-12(4-5-15(16)21)22-29(24,25)19-10-18(27-3)17(26-2)9-14(19)20/h4-5,8-10,13,22H,6-7,11H2,1-3H3/t13-/m1/s1
• Isomeric SMILES: CN1CC[C@H](C1)OC2=C(C=CC(=C2)NS(=O)(=O)C3=C(C=C(C(=C3)OC)OC)Br)Cl
• WGK Germany: 3
• PubChem CID: 11272107
• Molecular Weight: 505.81

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: Benzenesulfonamides Dimethoxybenzenes Benzenesulfonyl compounds Phenoxy compounds Anisoles Alkyl aryl ethers Bromobenzenes Chlorobenzenes Organosulfonamides Aryl bromides Aryl chlorides N-alkylpyrrolidines Aminosulfonyl compounds Trialkylamines Azacyclic compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Sulfanilide - Dimethoxybenzene - O-dimethoxybenzene - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Methoxybenzene - Anisole - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - N-alkylpyrrolidine - Aryl bromide - Aryl chloride - Organosulfonic acid amide - Aryl halide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Pyrrolidine - Organic sulfonic acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organic oxide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organobromide - Organochloride - Organosulfur compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic 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 (2 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

Liver microsomes (16955 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 50.58, Max Conc. mM: 100
• Molecular Weight: 505.800 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 504.012 Da
• Monoisotopic Mass: 504.012 Da
• Topological Polar Surface Area: 85.500 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 637.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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