TRPM8 antagonist 2 - Moligand™,≥97% , CAS No.259674-19-6

CAS: 259674-19-6 Cat. No.: T412219 Summenformel: C₂₆H₂₆N₂O₂ Molekulargewicht: 398.5 PubChem CID: 57055437

GRADE & PURITY Moligand™, ≥97%

Synonyms

TRPM8 AntagonistL-​Tryptophan,N,​N-​bis(phenylmethyl)​-​,methyl ester

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

TRPM8 antagonist 2 TRPM8 antagonist 2 (TRPM8 Antagonist) is a potent and selective antagonist of TRPM8 with IC50 of 0.2 nM that can be used for the pharmacological treatment of neuropathic pain syndromes.

Targets

TRPM8 (Cell-free assay) 0.2 nM

Specifications

Synonyme

TRPM8 AntagonistL-​Tryptophan,N,​N-​bis(phenylmethyl)​-​,methyl ester

Spezifikationen & Reinheit

Moligand™, ≥97%

Biochemische und physiologische Mechanismen

TRPM8 antagonist 2 (TRPM8 Antagonist) is a potent and selective antagonist of TRPM8 with IC50 of 0.2 nM that can be used for the pharmacological treatment of neuropathic pain syndromes.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Reinheit

≥97%

Produkteigenschaften

ALogP

5.527

HBD-Zahl

1

Rotationsfähige Bindung

9

Namen und Kennungen

Pubchem Sid

504771539

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771539

Kanonisches Lächeln

COC(=O)C(CC1=CNC2=CC=CC=C21)N(CC3=CC=CC=C3)CC4=CC=CC=C4

IUPAC Name

methyl (2S)-2-(dibenzylamino)-3-(1H-indol-3-yl)propanoate

InChIKey

HHVOOJDLCVOLKI-VWLOTQADSA-N

INCHI

1S/C26H26N2O2/c1-30-26(29)25(16-22-17-27-24-15-9-8-14-23(22)24)28(18-20-10-4-2-5-11-20)19-21-12-6-3-7-13-21/h2-15,17,25,27H,16,18-19H2,1H3/t25-/m0/s1

Isomere SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)N(CC3=CC=CC=C3)CC4=CC=CC=C4

PubChem CID

57055437

Molekulargewicht

398.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Indolyl carboxylic acids and derivatives 3-alkylindoles Phenylmethylamines Benzylamines Fatty acid esters Aralkylamines Substituted pyrroles Methyl esters Heteroaromatic compounds Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - Indolyl carboxylic acid derivative - 3-alkylindole - Indole - Indole or derivatives - Benzylamine - Phenylmethylamine - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

Zugehörige Ziele (nicht menschlich)

Mus musculus (284745 Activities)

Explore this target

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

Trpm8 Transient receptor potential cation channel subfamily M member 8 (889 Activities)

Discover Target: Trpm8

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 80 mg/mL (200.75 mM); Ethanol: 22 mg/mL (55.2 mM); Water: Insoluble
• DMSO (mg/ml) Maximale Löslichkeit: 80
• DMSO (mM) Maximale Löslichkeit: 200.752823086575
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 398.500 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 398.199 Da
• Monoisotopic Mass: 398.199 Da
• Topological Polar Surface Area: 45.300 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 507.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 259674-19-6, the molecular formula is C26H26N2O2, and the molecular weight is 398.5 g/mol. InChIKey HHVOOJDLCVOLKI-VWLOTQADSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.