WAY-316606 - Moligand™, ≥99% , CAS No.915759-45-4

CAS: 915759-45-4 Cat. No.: W413340 Molecular Weight: 448.48 PubChem CID: 16727102

GRADE & PURITY Moligand™, ≥99%

Synonyms

D83680 | A915415 | DTXSID90587395 | 5-(Benzenesulfonyl)-N-(piperidin-4-yl)-2-(trifluoromethyl)benzene-1-sulfonamide | EX-A1883 | HMS3749G03 | AC-36231 | BDBM50265467 | GTPL9945 | 5-(benzenesulfonyl)-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

WAY-316606 WAY-316606, a specific antagonist of SFRP1 , functions as an activator of canonical Wnt/β-catenin signalling in the human hair bulb.

Targets

sFRP1

In vitro

WAY-316606 enhances hair shaft production, hair shaft keratin expression, and inhibits spontaneous HF regression (catagen) ex vivo. WAY-316606 effectively enhances β-catenin activity in mammalian skin cell populations, namely in both human hair pre-cortex keratinocytes and DP fibroblasts ex vivo.

Specifications

Synonyms

D83680 | A915415 | DTXSID90587395 | 5-(Benzenesulfonyl)-N-(piperidin-4-yl)-2-(trifluoromethyl)benzene-1-sulfonamide | EX-A1883 | HMS3749G03 | AC-36231 | BDBM50265467 | GTPL9945 | 5-(benzenesulfonyl)-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide |

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

WAY-316606, a specific antagonist of SFRP1, functions as an activator of canonical Wnt/β-catenin signalling in the human hair bulb.

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™

Purity

≥99%

Product Properties

• ALogP: 2.36
• HBD Count: 2
• Rotatable Bond: 6

Names and Identifiers

• Pubchem Sid: 504768505
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768505
• Canonical Smiles: C1CNCCC1NS(=O)(=O)C2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)C(F)(F)F
• IUPAC Name: 5-(benzenesulfonyl)-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide
• InChIKey: ITBGJNVZJBVPLJ-UHFFFAOYSA-N
• INCHI: 1S/C18H19F3N2O4S2/c19-18(20,21)16-7-6-15(28(24,25)14-4-2-1-3-5-14)12-17(16)29(26,27)23-13-8-10-22-11-9-13/h1-7,12-13,22-23H,8-11H2
• Isomeric SMILES: C1CNCCC1NS(=O)(=O)C2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)C(F)(F)F
• PubChem CID: 16727102
• Molecular Weight: 448.48

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: Benzenesulfonamides
• Alternative Parents: Trifluoromethylbenzenes Benzenesulfonyl compounds Piperidines Organosulfonamides Sulfones Aminosulfonyl compounds Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Trifluoromethylbenzene - Benzenesulfonyl group - Piperidine - Organosulfonic acid amide - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Secondary aliphatic amine - Secondary amine - Azacycle - Organoheterocyclic compound - Alkyl halide - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a 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

Associated Targets(Human)

SFRP1 Tchem Secreted frizzled-related protein 1 (1 Activities)

Discover Target: SFRP1

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

WNT3 Tchem Proto-oncogene Wnt-3 (1 Activities)

Discover Target: WNT3

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

SFRP1 Tchem Secreted frizzled-related protein 1 (240 Activities)

Discover Target: SFRP1

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

WNT3 Tchem Proto-oncogene protein Wnt-3 (144 Activities)

Discover Target: WNT3

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

Liver microsomes (16955 Activities)

Explore this target

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 90 mg/mL (200.67 mM); Ethanol: 7 mg/mL (15.6 mM); Water: Insoluble
• DMSO(mg / mL) Max Solubility: 90
• DMSO(mM) Max Solubility: 200.677845165894
• Water(mg / mL) Max Solubility: 1
• Water(mM) Max Solubility: 2.2297538351766
• Molecular Weight: 448.500 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 448.074 Da
• Monoisotopic Mass: 448.074 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 747.000
• 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