BMS 182874 Hydrochlorid - ≥98%(HPLC) , CAS No.1215703-04-0

CAS: 1215703-04-0 Cat. No.: B286892 Summenformel: C₁₇H₁₉N₃O₃S•HCl Molekulargewicht: 381.88 EG-Nummer: 802-465-2

QUALITÄT & REINHEIT ≥98%(HPLC)

Synonyms

5-(Dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalinsulfonamid-Hydrochlorid | BMS182874 | N-(3,4-Dimethyl-5-isoxazolyl)-5-(dimethylamino)-1-naphthalinsulfonamid-Hydrochlorid | 5-(Dimethylamino)-N-(3,4-dimethylisoxazol-5-yl)naphthalin-1-sulf

Storage

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Übersicht

Einführung des Produkts

BMS 182874 Hydrochlorid ist ein nicht-peptidischer Endothelin (El)-Rezeptor-Antagonist.

Spezifikationen

Synonyme

5-(Dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalinsulfonamid-Hydrochlorid | BMS182874 | N-(3,4-Dimethyl-5-isoxazolyl)-5-(dimethylamino)-1-naphthalinsulfonamid-Hydrochlorid | 5-(Dimethylamino)-N-(3,4-dimethylisoxazol-5-yl)naphthalin-1-sulf

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Potenter, selektiver und kompetitiver nicht-peptidischer Endothelin-ETA-Rezeptor-Antagonist (Ki= 48 nM). Zeigt > 1000-fache Selektivität gegenüber ETB-Rezeptoren. Hemmt die ET-1-induzierte Druckreaktion nach oraler oder intravenöser Verabreichung in vivo.

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Aktionsart

ANTAGONIST

Reinheit

≥98%(HPLC)

Namen und Kennungen

Pubchem Sid

504771516

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771516

Kanonisches Lächeln

CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C.Cl

IUPAC Name

5-(dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide;hydrochloride

InChIKey

UZZFRNZGYDOBAO-UHFFFAOYSA-N

INCHI

1S/C17H19N3O3S.ClH/c1-11-12(2)18-23-17(11)19-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)20(3)4;/h5-10,19H,1-4H3;1H

Isomere SMILES

CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C.Cl

Molekulargewicht

381.88

Reaxy-Rn

35450642

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35450642&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-naphthalene sulfonic acids and derivatives
• Alternative Parents: 1-naphthalene sulfonamides Dialkylarylamines Organosulfonamides Isoxazoles Heteroaromatic compounds Aminosulfonyl compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 1-naphthalene sulfonamide - Dialkylarylamine - Organosulfonic acid amide - Azole - Isoxazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Aminosulfonyl compound - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrochloride - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: None, Max Conc. mM: 100
• Molekulargewicht: 381.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 381.091 Da
• Monoisotopic Mass: 381.091 Da
• Topological Polar Surface Area: 83.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 534.000
• 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: 2

XLogP3