Cariporide - ≥98%(HPLC) , CAS No.159138-80-4

CAS: 159138-80-4 Cat. No.: C286810 Formule: C₁₂H₁₇N₃O₃S Poids moléculaire: 283.35

QUALITÉ & PURETÉ ≥98%(HPLC)

Synonyms

N-carbamimidoyl-3-methanesulfonyl-4-(propan-2-yl)benzamide | AC-14535 | 3-methylsulfonyl-4-i-propylbenzoylguanidine | NCGC00247951-01 | AC-31727 | BENZAMIDE, N-(DIAMINOMETHYLENE)-4-(1-METHYLETHYL)-3-(METHYLSULFONYL)- | AKOS015854493 | DS-11823 | s5814 | B

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Spécifications

Synonymes

N-carbamimidoyl-3-methanesulfonyl-4-(propan-2-yl)benzamide | AC-14535 | 3-methylsulfonyl-4-i-propylbenzoylguanidine | NCGC00247951-01 | AC-31727 | BENZAMIDE, N-(DIAMINOMETHYLENE)-4-(1-METHYLETHYL)-3-(METHYLSULFONYL)- | AKOS015854493 | DS-11823 | s5814 | B

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Selective Na+/H+exchanger isoform 1 (NHE1) inhibitor (IC50values are 0.05, 3 and 1000μM for NHE1, NHE3 and NHE2 respectively). Attenuates ischemia-induced cardiomyocyte apoptosisin vitro. Reduces cardiac arrhythmiain vivo. Also promotes apoptosis in cance

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%(HPLC)

Noms et identifiants

Pubchem Sid

504757351

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757351

Sourires canoniques

CC(C)C1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C

IUPAC Name

N-(diaminomethylidene)-3-methylsulfonyl-4-propan-2-ylbenzamide

InChIKey

IWXNYAIICFKCTM-UHFFFAOYSA-N

INCHI

1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)

Isomères SMILES

CC(C)C1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C

Poids moléculaire

283.35

Reaxy-Rn

7713674

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7713674&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Phenylpropanes Cumenes Benzoic acids and derivatives Benzenesulfonyl compounds Benzoyl derivatives Acylguanidines Sulfones Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Carboximidamides Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Benzenesulfonyl group - Benzoic acid or derivatives - Cumene - Phenylpropane - Benzoyl - Acylguanidine - Monocyclic benzene moiety - Benzenoid - Sulfonyl - Sulfone - Guanidine - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 28.34, Max Conc. mM: 100
• Poids moléculaire: 283.350 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 283.099 Da
• Monoisotopic Mass: 283.099 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 461.000
• 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