GDC-0334 - Moligand™ , Channel blocker of TRPA1, CAS No.G610531, Channel blocker of TRPA1

CAS: G610531 Cat. No.: G610531 PubChem CID: 122490062

GRADE & PURITY Moligand™

Synonyms

BDBM50573115 | AKOS040757188 | GTPL12568 | UNII-CZ9KU41DVB | LXY | (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide | HY-115877 | CZ9KU41DVB | (2S,4R,5S)

Storage

Room temperature

Specifications

Sinonimi

BDBM50573115 | AKOS040757188 | GTPL12568 | UNII-CZ9KU41DVB | LXY | (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide | HY-115877 | CZ9KU41DVB | (2S,4R,5S)

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

CHANNEL BLOCKER

Meccanismo d'azione

Channel blocker of TRPA1

Nomi e identificatori

• Sorrisi canonici: C[C@H]1[C@@H](C[C@H](N1S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC(=NC=C3C(F)(F)F)C4=CN=C(N=C4)C(F)(F)F)F
• IUPAC Name: (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl]methyl]pyrrolidine-2-carboxamide
• InChIKey: RGXNECXVRZKGGH-UOXRKKOCSA-N
• INCHI: 1S/C24H19F8N5O3S/c1-12-18(26)7-20(37(12)41(39,40)16-4-2-15(25)3-5-16)21(38)34-8-13-6-19(33-11-17(13)23(27,28)29)14-9-35-22(36-10-14)24(30,31)32/h2-6,9-12,18,20H,7-8H2,1H3,(H,34,38)/t12-,18+,20-/m0/s1
• Isomeri SMILES: C[C@H]1[C@@H](C[C@H](N1S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC(=NC=C3C(F)(F)F)C4=CN=C(N=C4)C(F)(F)F)F
• PubChem CID: 122490062

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Proline and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Proline and derivatives
• Alternative Parents: Alpha amino acid amides Benzenesulfonamides Benzenesulfonyl compounds Pyrrolidinecarboxamides Fluorobenzenes Pyrimidines and pyrimidine derivatives Pyridines and derivatives Organosulfonamides Aryl fluorides Sulfonyls Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Alpha-amino acid amide - Benzenesulfonamide - Benzenesulfonyl group - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - Halobenzene - Fluorobenzene - Benzenoid - Organosulfonic acid amide - Pyrimidine - Pyridine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Obiettivi associati (umani)

TRPA1 Tclin Transient receptor potential cation channel subfamily A member 1 (1 Activities)

Discover Target: TRPA1

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

Meccanismi d'azione

Domande frequenti

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.

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 room temperature.

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

The CAS Number is G610531. InChIKey RGXNECXVRZKGGH-UOXRKKOCSA-N.