GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

AKOS025147398 | MK683 | MK6-83 | 5-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-sulfonamide | 2-Thiophenesulfonamide, 5-methyl-N-(2-(1-piperidinyl)phenyl)- | GTPL9783 | s6947 | NCGC00402264-04 | 5-Methyl-N-(2-(1-piperidinyl)phenyl)-2-thiophenesulfonamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS025147398 | MK683 | MK6-83 | 5-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-sulfonamide | 2-Thiophenesulfonamide, 5-methyl-N-(2-(1-piperidinyl)phenyl)- | GTPL9783 | s6947 | NCGC00402264-04 | 5-Methyl-N-(2-(1-piperidinyl)phenyl)-2-thiophenesulfonamide

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

TRPML channel activator (EC50= 110 nM). Also activates F408Δand F465L TRPML mutants (EC50values are 0.1 and 1.23μM respectively). Restores endolysosomal trafficking and zinc homeostasis in lysosomes of mucolipidosis type IV (MLIV) mutant fibroblasts.MK6-8

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.

Grade

Moligand™

Action Type

ACTIVATOR

Mechanism of action

Activator of TRPML1;Activator of TRPML3

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504768682
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768682
• Canonical Smiles: CC1=CC=C(S1)S(=O)(=O)NC2=CC=CC=C2N3CCCCC3
• IUPAC Name: 5-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-sulfonamide
• InChIKey: IRGYSXZCDAWOOC-UHFFFAOYSA-N
• INCHI: 1S/C16H20N2O2S2/c1-13-9-10-16(21-13)22(19,20)17-14-7-3-4-8-15(14)18-11-5-2-6-12-18/h3-4,7-10,17H,2,5-6,11-12H2,1H3
• Isomeric SMILES: CC1=CC=C(S1)S(=O)(=O)NC2=CC=CC=C2N3CCCCC3
• Molecular Weight: 336.47
• Reaxy-Rn: 41646062
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41646062&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Sulfanilides Dialkylarylamines Aniline and substituted anilines 2,5-disubstituted thiophenes Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Sulfanilide - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - 2,5-disubstituted thiophene - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiophene - Aminosulfonyl compound - Heteroaromatic compound - Tertiary amine - Azacycle - Organic nitrogen compound - Organic oxide - Amine - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
• 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)

MCOLN1 Tchem Mucolipin-1 (2 Activities)

Discover Target: MCOLN1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MCOLN3 Tchem Mucolipin-3 (0 Activities)

Discover Target: MCOLN3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 33.65, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 6.73, Max Conc. mM: 20
• Molecular Weight: 336.500 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 336.097 Da
• Monoisotopic Mass: 336.097 Da
• Topological Polar Surface Area: 86.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 457.000
• 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