IC87201 - Moligand™, ≥95% , CAS No.866927-10-8

CAS: 866927-10-8 Cat. No.: I286663 Formule: C₁₃H₁₀Cl₂N₄O Poids moléculaire: 309.15 Numéro CE: 110-960-3

GRADE & PURITY Moligand™, ≥95%

Synonyms

2-[(1H-Benzotriazol-6-ylamino)methyl]-4,6-dichlorophenol | 2-(1H-Benzotriazol-6-ylamino)methyl-4,6-dichlorophenol,Phenol,2-(1H-benzotriazol-6-ylamino)methyl-4,6-dichloro-,2-(1H-Benzotriazol-6-ylamino)methyl-4,6-dichloro-phenol | IC87201 | IC-87201 | 2-[(1

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

IC87201, an inhibitor of PSD95-nNOS protein-protein interactions, suppresses NMDAR-dependent NO and cGMP formation.

Specifications

Synonymes

2-[(1H-Benzotriazol-6-ylamino)methyl]-4,6-dichlorophenol | 2-(1H-Benzotriazol-6-ylamino)methyl-4,6-dichlorophenol,Phenol,2-(1H-benzotriazol-6-ylamino)methyl-4,6-dichloro-,2-(1H-Benzotriazol-6-ylamino)methyl-4,6-dichloro-phenol | IC87201 | IC-87201 | 2-[(1

Spécifications et pureté

Moligand™, ≥95%

Mécanismes biochimiques et physiologiques

IC87201 is a potent inhibitor of the nNOS/PSD-95 protein-protein interaction that blocks NMDA-induced 3′ ,5′ -cyclic guanosine monophosphate (cGMP) production in hippocampal cultures. IC87201 exhibits analgesic properties in mice pain models. Contrary to

Conditions de stockage de stockage

Protected from light,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

INHIBITOR

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: C1=CC2=NNN=C2C=C1NCC3=C(C(=CC(=C3)Cl)Cl)O
• IUPAC Name: 2-[(2H-benzotriazol-5-ylamino)methyl]-4,6-dichlorophenol
• InChIKey: QEHVTUCLCBXQIC-UHFFFAOYSA-N
• INCHI: 1S/C13H10Cl2N4O/c14-8-3-7(13(20)10(15)4-8)6-16-9-1-2-11-12(5-9)18-19-17-11/h1-5,16,20H,6H2,(H,17,18,19)
• Isomères SMILES: C1=CC2=NNN=C2C=C1NCC3=C(C(=CC(=C3)Cl)Cl)O
• Poids moléculaire: 309.15
• Reaxy-Rn: 57035805
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=57035805&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzotriazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzotriazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzotriazoles
• Alternative Parents: Phenylmethylamines P-chlorophenols O-chlorophenols Dichlorobenzenes Benzylamines Secondary alkylarylamines Aralkylamines Aryl chlorides Triazoles Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzotriazole - 2-chlorophenol - 2-halophenol - 4-halophenol - 4-chlorophenol - Phenylmethylamine - 1,3-dichlorobenzene - Benzylamine - Phenol - Halobenzene - Chlorobenzene - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Azole - Heteroaromatic compound - 1,2,3-triazole - Triazole - Secondary amine - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzotriazoles. These are organic compounds containing a benzene fused to a triazole ring (a five-membered ring with two carbon atoms and three nitrogen atoms).
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: The highest concentration (mg/ml): 28, the highest concentration (mm): 100; Soluble in ethanol, maximum concentration (mg/ml): none, maximum concentration (mm): 100
• Poids moléculaire: 309.150 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 308.023 Da
• Monoisotopic Mass: 308.023 Da
• Topological Polar Surface Area: 73.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 335.000
• 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