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

CAS: 114432-13-2 Cat. No.: F412373 Molecular Weight: 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

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

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

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

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.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC(C)C1=CN2C=CC=CC2=C1S(=O)(=O)C3=CC=C(C=C3)OCCCN(C)CCC4=CC(=C(C=C4)OC)OC
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 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