Fantofarone - ≥98% , CAS No.114432-13-2

CAS: 114432-13-2 Cat. No.: F412373 Formule: C₃₁H₃₈N₂O₅S Poids moléculaire: 550.71

GRADE & PURITY ≥98%

Synonyms

Fantofaronum | 3,4-Dimethoxy-N-methyl-N-(3-(4-((2-(1-methylethyl)-1-indolizinyl)sulfonyl)phenoxy)propyl)benzeneethanmine | N-(3,4-dimethoxyphenethyl)-3-(4-((2-isopropylindolizin-1-yl)sulfonyl)phenoxy)-N-methylpropan-1-amine | AS-56270 | D93346 | KU213XYO6

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

Fantofaronum | 3,4-Dimethoxy-N-methyl-N-(3-(4-((2-(1-methylethyl)-1-indolizinyl)sulfonyl)phenoxy)propyl)benzeneethanmine | N-(3,4-dimethoxyphenethyl)-3-(4-((2-isopropylindolizin-1-yl)sulfonyl)phenoxy)-N-methylpropan-1-amine | AS-56270 | D93346 | KU213XYO6

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Fantofarone (SR 33557) is a highly potent antagonist of Calcium Channel.

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.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528775127
• Sourires canoniques: CC(C)C1=CN2C=CC=CC2=C1S(=O)(=O)C3=CC=C(C=C3)OCCCN(C)CCC4=CC(=C(C=C4)OC)OC
• IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine
• InChIKey: ITAMRBIZWGDOHW-UHFFFAOYSA-N
• INCHI: 1S/C31H38N2O5S/c1-23(2)27-22-33-18-7-6-9-28(33)31(27)39(34,35)26-13-11-25(12-14-26)38-20-8-17-32(3)19-16-24-10-15-29(36-4)30(21-24)37-5/h6-7,9-15,18,21-23H,8,16-17,19-20H2,1-5H3
• Isomères SMILES: CC(C)C1=CN2C=CC=CC2=C1S(=O)(=O)C3=CC=C(C=C3)OCCCN(C)CCC4=CC(=C(C=C4)OC)OC
• Poids moléculaire: 550.71
• Reaxy-Rn: 5366795
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5366795&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Benzenesulfonyl compounds Phenethylamines Indolizines Anisoles Phenoxy compounds Alkyl aryl ethers Aralkylamines Substituted pyrroles Pyridines and derivatives Heteroaromatic compounds Sulfones Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Indolizine - Phenethylamine - Benzenesulfonyl group - Pyrrolopyridine - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Pyridine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Sulfone - Sulfonyl - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Ether - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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)

CACNA1C Tclin Voltage-gated L-type calcium channel alpha-1C subunit (766 Activities)

Discover Target: CACNA1C

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 550.700 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 550.25 Da
• Monoisotopic Mass: 550.25 Da
• Topological Polar Surface Area: 77.900 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 825.000
• 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