Amidephrine - Moligand™, ≥95% , Agonist of α 1D-adrenoceptor, CAS No.37571-84-9, Agonist of α 1D-adrenoceptor

CAS: 37571-84-9 Cat. No.: A353803 Formule: C₁₀H₁₆N₂O₃S Poids moléculaire: 244.31

GRADE & PURITY Moligand™, ≥95%

Synonyms

7E2P22546V | MJ-5190 | 3'-[1-Hydroxy-2-(methylamino)ethyl] methanesulfonanilide | AMIDEPHRINE [MI] | N-(3-[1-Hydroxy-2-(methylamino)ethyl]phenyl)methanesulfonamide # | Q4746159 | ZHOWHMXTJFZXRB-UHFFFAOYSA-N | N-[3-(1-hydroxy-2-methylaminoethyl)phenyl]meth

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

7E2P22546V | MJ-5190 | 3'-[1-Hydroxy-2-(methylamino)ethyl] methanesulfonanilide | AMIDEPHRINE [MI] | N-(3-[1-Hydroxy-2-(methylamino)ethyl]phenyl)methanesulfonamide # | Q4746159 | ZHOWHMXTJFZXRB-UHFFFAOYSA-N | N-[3-(1-hydroxy-2-methylaminoethyl)phenyl]meth

Spécifications et pureté

Moligand™, ≥95%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

AGONIST

Mécanisme d'action

Agonist of α 1D-adrenoceptor

Pureté

≥95%

Noms et identifiants

Sourires canoniques

CNCC(C1=CC(=CC=C1)NS(=O)(=O)C)O

IUPAC Name

N-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]methanesulfonamide

InChIKey

ZHOWHMXTJFZXRB-UHFFFAOYSA-N

INCHI

1S/C10H16N2O3S/c1-11-7-10(13)8-4-3-5-9(6-8)12-16(2,14)15/h3-6,10-13H,7H2,1-2H3

Isomères SMILES

CNCC(C1=CC(=CC=C1)NS(=O)(=O)C)O

Poids moléculaire

244.31

Reaxy-Rn

2852298

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2852298&ln=

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: Aralkylamines Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Sulfanilide - Aralkylamine - Organic sulfonic acid amide - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Secondary alcohol - 1,2-aminoalcohol - Secondary aliphatic amine - Secondary amine - Organopnictogen compound - Alcohol - Organic nitrogen compound - Aromatic alcohol - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - 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

Cibles associées (humaines)

ADRA1D Tclin Alpha-1D adrenergic receptor (1 Activities)

Discover Target: ADRA1D

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

Cibles associées (non humaines)

Oryctolagus cuniculus (11301 Activities)

Explore this target

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

Adra1b Adrenergic receptor alpha-1 (5652 Activities)

Discover Target: Adra1b

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

Adra2c Adrenergic receptor alpha-2 (3313 Activities)

Discover Target: Adra2c

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 244.310 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 244.088 Da
• Monoisotopic Mass: 244.088 Da
• Topological Polar Surface Area: 86.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 300.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1