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

CAS: 474960-44-6 Cat. No.: S287184 Formula: C₁₉H₂₂BrClN₂O₅S Peso molecolare: 505.81 Numero EC: 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

Conservare a -20°C

Shipped In

Cassetta del ghiaccio + cuscini per il ghiaccio

Panoramica

Descrizione del prodotto: SB-657510 è un antagonista selettivo del recettore della urotensina II (UII)

SB-657510 è un antagonista selettivo del recettore dell'urotensina II (UII) (UT). I valori di Ki sono 61, 17, 30, 65 e 56 nM rispettivamente per i recettori di uomo, scimmia, gatto, ratto e topo. SB-657510 esercita effetti antinfiammatori inibendo l'upregulation indotta da UII di mediatori infiammatori quali molecole di adesione, citochine e fattore tissutale in cellule endoteliali vascolari umane.

Applicazione: SB 657510 può essere utilizzato per

SB 657510 può essere utilizzato per studiare la segnalazione mediata dal recettore dell'urotensina II.

Specifications

Sinonimi

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) |

Specifiche e purezza

≥98% (HPLC)

Meccanismi biochimici e fisiologici

Antagonista selettivo dei recettori dell'urotensina-II (UT) (i valori di Kivalue sono rispettivamente 61, 17, 30, 65 e 56 nM per i recettori di uomo, scimmia, gatto, ratto e topo). Inibisce la mobilizzazione del Ca2+ intracellulare indotta dall'U-II (IC50

Condizioni di conservazione di stoccaggio

Conservare a -20°C

Spedito in

Cassetta del ghiaccio + cuscini per il ghiaccio

Tipo di azione

ANTAGONIST

Purezza

≥98%(HPLC)

Nomi e identificatori

Pubchem Sid

504766232

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766232

Sorrisi canonici

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

Isomeri SMILES

CN1CC[C@H](C1)OC2=C(C=CC(=C2)NS(=O)(=O)C3=C(C=C(C(=C3)OC)OC)Br)Cl

WGK Germania

3

PubChem CID

11272107

Peso molecolare

505.81

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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

Obiettivi associati (non umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 50.58, Max Conc. mM: 100
• Peso molecolare: 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