Almitrine dimesilate - 10mM in DMSO , CAS No.29608-49-9

CAS: 29608-49-9 Cat. No.: A423050 Fórmula: C₂₈H₃₇F₂N₇O₆S₂ Peso molecular: 669.76

GRADE & PURITY 10mM in DMSO

Synonyms

ALMITRINE DIMESILATE [MART.] | N2,N4-Diallyl-6-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-1,3,5-triazine-2,4-diaminedimethanesulfonate | Almitrine bismesilate | MFCD01679060 | NCGC00262968-01 | SCHEMBL2228917 | AKOS027327548 | HY-107319 | S-2620 | 6RY6

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Product description：

Almitrine mesylate, a peripheral chemoreceptor agonist, inhibits selectively the Ca2+-dependent K+ channel.

Specifications

Sinónimos

ALMITRINE DIMESILATE [MART.] | N2,N4-Diallyl-6-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-1,3,5-triazine-2,4-diaminedimethanesulfonate | Almitrine bismesilate | MFCD01679060 | NCGC00262968-01 | SCHEMBL2228917 | AKOS027327548 | HY-107319 | S-2620 | 6RY6

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Nombres e identificadores

Pubchem Sid

528773554

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528773554

Sonrisas canónicas

CS(=O)(=O)O.CS(=O)(=O)O.C=CCNC1=NC(=NC(=N1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)NCC=C

IUPAC Name

6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine;methanesulfonic acid

InChIKey

MRDBGMJEPGXQHJ-UHFFFAOYSA-N

INCHI

1S/C26H29F2N7.2CH4O3S/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20;2*1-5(2,3)4/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33);2*1H3,(H,2,3,4)

Isómeros SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C=CCNC1=NC(=NC(=N1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)NCC=C

Peso molecular

669.76

Reaxy-Rn

5473183

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5473183&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: N-arylpiperazines Dialkylarylamines Secondary alkylarylamines N-alkylpiperazines N-aliphatic s-triazines Fluorobenzenes Aralkylamines Aryl fluorides 1,3,5-triazines Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Diphenylmethane - N-arylpiperazine - Dialkylarylamine - Amino-1,3,5-triazine - Aminotriazine - Halobenzene - Fluorobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - N-aliphatic s-triazine - N-alkylpiperazine - Aryl fluoride - Piperazine - Aryl halide - 1,4-diazinane - Triazine - 1,3,5-triazine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organopnictogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: methanesulfonate salt

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

Objetivos asociados (humanos)

Caco-2 (12174 Activities)

Explore this target

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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 669.800 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 10
• Exact Mass: 669.221 Da
• Monoisotopic Mass: 669.221 Da
• Topological Polar Surface Area: 195.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 694.000
• 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: 3

XLogP3