Velneperit - ≥99% , Neuropeptide Y receptor type 5 antagonist, CAS No.342577-38-2, Neuropeptide Y receptor type 5 antagonist

CAS: 342577-38-2 Cat. No.: V647306 Formula: C₁₇H₂₄F₃N₃O₃S Molecular Weight: 407.5 PubChem CID: 20629114

GRADE & PURITY ≥99%

Synonyms

(1r,4r)-4-((1,1-dimethylethyl)sulfonamido)-N-(5-(trifluoromethyl)pyridin-2-yl)cyclohexane-1-carboxamide | Velneperit | s2367 | S-2367 | UNII-09BQ2KJ22J | rel-(1r,4r)-4-((1,1-Dimethylethyl)sulfonamido)-N-(5-(trifluoromethyl)pyridin-2-yl)cyclohexane-1-carbo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Velneperit (S-2367) is a novel neuropeptide Y (NPY) Y5 receptor antagonist. Target: neuropeptide Y receptor Velneperit (S-2367) is a once-daily, oral, centrally acting, small molecule neuropeptide Y (NPY) Y5 receptor antagonist.

Specifications

Synonyms

(1r,4r)-4-((1,1-dimethylethyl)sulfonamido)-N-(5-(trifluoromethyl)pyridin-2-yl)cyclohexane-1-carboxamide | Velneperit | s2367 | S-2367 | UNII-09BQ2KJ22J | rel-(1r,4r)-4-((1,1-Dimethylethyl)sulfonamido)-N-(5-(trifluoromethyl)pyridin-2-yl)cyclohexane-1-carbo

Specifications & Purity

≥99%

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

ANTAGONIST

Mechanism of action

Neuropeptide Y receptor type 5 antagonist

Purity

≥99%

Product Properties

• ALogP: 2.6

Names and Identifiers

• Pubchem Sid: 528776440
• Canonical Smiles: CC(C)(C)S(=O)(=O)NC1CCC(CC1)C(=O)NC2=NC=C(C=C2)C(F)(F)F
• IUPAC Name: 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)pyridin-2-yl]cyclohexane-1-carboxamide
• InChIKey: WGEWUYACXPEFPO-UHFFFAOYSA-N
• INCHI: 1S/C17H24F3N3O3S/c1-16(2,3)27(25,26)23-13-7-4-11(5-8-13)15(24)22-14-9-6-12(10-21-14)17(18,19)20/h6,9-11,13,23H,4-5,7-8H2,1-3H3,(H,21,22,24)
• Isomeric SMILES: CC(C)(C)S(=O)(=O)NC1CCC(CC1)C(=O)NC2=NC=C(C=C2)C(F)(F)F
• Alternate CAS: 342577-38-2
• PubChem CID: 20629114
• Molecular Weight: 407.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Delta amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Delta amino acids and derivatives
• Alternative Parents: N-arylamides Pyridines and derivatives Organosulfonamides Organic sulfonamides Imidolactams Heteroaromatic compounds Aminosulfonyl compounds Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Delta amino acid or derivatives - N-arylamide - Pyridine - Organic sulfonic acid amide - Imidolactam - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl fluoride - Alkyl halide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.
• 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)

NPY5R Tchem Neuropeptide Y receptor type 5 (1834 Activities)

Discover Target: NPY5R

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

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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

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: DMSO : ≥ 30 mg/mL (73.63 mM)
• Sensitivity: Hygroscopic
• Molecular Weight: 407.500 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 407.149 Da
• Monoisotopic Mass: 407.149 Da
• Topological Polar Surface Area: 96.500 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 618.000
• 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