Zandatrigine - ≥99% , Sodium channel protein type VIII alpha subunit inhibitor, CAS No.2154406-04-7, Sodium channel protein type VIII alpha subunit inhibitor

CAS: 2154406-04-7 Cat. No.: Z651073 Molecular Weight: 460.59 PubChem CID: 132141687

GRADE & PURITY ≥99%

Synonyms

Zandatrigine | BDBM470680 | Benzenesulfonamide, 2-fluoro-5-methyl-4-(methyl((3S)-1-(phenylmethyl)-3-pyrrolidinyl)amino)-N-4-thiazolyl- | SV2WPA4R4J | AKOS040757364 | SCHEMBL19613237 | NBI-921352 | NBI921352 | zandatrigine [INN] | 4-[[(3S)-1-benzylpyrrolid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Zandatrigine (NBI-921352) is a sodium channel protein type 8 subunit alpha (Scn8α) blocker

Form:Solid

IC50& Target:Scn8α

Specifications

Synonyms

Zandatrigine | BDBM470680 | Benzenesulfonamide, 2-fluoro-5-methyl-4-(methyl((3S)-1-(phenylmethyl)-3-pyrrolidinyl)amino)-N-4-thiazolyl- | SV2WPA4R4J | AKOS040757364 | SCHEMBL19613237 | NBI-921352 | NBI921352 | zandatrigine [INN] | 4-[[(3S)-1-benzylpyrrolid

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Zandatrigine (NBI-921352) is a sodium channel protein type 8 subunit alpha (Scn8α) blocker.

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.

Action Type

INHIBITOR

Mechanism of action

Sodium channel protein type VIII alpha subunit inhibitor

Purity

≥99%

Product Properties

• ALogP: 4.1

Names and Identifiers

• Canonical Smiles: CC1=CC(=C(C=C1N(C)[C@H]2CCN(C2)CC3=CC=CC=C3)F)S(=O)(=O)NC4=CSC=N4
• IUPAC Name: 4-[[(3S)-1-benzylpyrrolidin-3-yl]-methylamino]-2-fluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide
• InChIKey: UCSHINHOAVARGQ-SFHVURJKSA-N
• INCHI: 1S/C22H25FN4O2S2/c1-16-10-21(31(28,29)25-22-14-30-15-24-22)19(23)11-20(16)26(2)18-8-9-27(13-18)12-17-6-4-3-5-7-17/h3-7,10-11,14-15,18,25H,8-9,12-13H2,1-2H3/t18-/m0/s1
• Isomeric SMILES: CC1=CC(=C(C=C1N(C)[C@H]2CCN(C2)CC3=CC=CC=C3)F)S(=O)(=O)NC4=CSC=N4
• PubChem CID: 132141687
• Molecular Weight: 460.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzenesulfonamides
• Alternative Parents: Phenylmethylamines Dialkylarylamines Benzylamines Aniline and substituted anilines Fluorobenzenes Aralkylamines N-alkylpyrrolidines Imidolactams Thiazoles Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenylmethylamine - Benzylamine - Aralkylamine - Halobenzene - Fluorobenzene - Imidolactam - N-alkylpyrrolidine - Heteroaromatic compound - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Pyrrolidine - Azole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene 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

Chemical and Physical Properties

• Solubility: DMSO : 125 mg/mL (271.39 mM; Need ultrasonic)