Soticlestat - Moligand™, ≥98% , Cholesterol 24-hydroxylase inhibitor, CAS No.1429505-03-2, Cholesterol 24-hydroxylase inhibitor

CAS: 1429505-03-2 Cat. No.: S613661 Formule: C₂₃H₂₃N₃O₂ Poids moléculaire: 373.45 PubChem CID: 73437845

GRADE & PURITY Moligand™, ≥98%

Synonyms

OV935 | OV-935 | [2,4'-bipyridin]-3-yl(4-benzyl-4-hydroxypiperidin-1-yl)methanone | 1766MU795L | Soticlestat [USAN:INN] | 1429505-03-2 | Soticlestat (USAN) | (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylpyridin-3-yl)methanone | TAK935 | TAK-935 | Sot

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

OV935 | OV-935 | [2,4'-bipyridin]-3-yl(4-benzyl-4-hydroxypiperidin-1-yl)methanone | 1766MU795L | Soticlestat [USAN:INN] | 1429505-03-2 | Soticlestat (USAN) | (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylpyridin-3-yl)methanone | TAK935 | TAK-935 | Sot

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

Soticlestat is a first-in-class, potent, selective cholesterol 24-hydroxylase (CH24H) inhibitor. Soticlestat has the potential for epilepsy syndromes research.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Cholesterol 24-hydroxylase inhibitor

Pureté

≥98%

Propriétés du produit

• ALogP: 2.5

Noms et identifiants

• Pubchem Sid: 528767298
• Sourires canoniques: C1CN(CCC1(CC2=CC=CC=C2)O)C(=O)C3=C(N=CC=C3)C4=CC=NC=C4
• IUPAC Name: (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylpyridin-3-yl)methanone
• InChIKey: XKUZMIUSBMCVPP-UHFFFAOYSA-N
• INCHI: 1S/C23H23N3O2/c27-22(20-7-4-12-25-21(20)19-8-13-24-14-9-19)26-15-10-23(28,11-16-26)17-18-5-2-1-3-6-18/h1-9,12-14,28H,10-11,15-17H2
• Isomères SMILES: C1CN(CCC1(CC2=CC=CC=C2)O)C(=O)C3=C(N=CC=C3)C4=CC=NC=C4
• CAS alternatif: 1429505-03-2
• PubChem CID: 73437845
• Termes d'entrée MeSH: (4-Benzyl-4-hydroxy-1-piperidinyl)(2,4'-bipyridin-3-yl)methanone;OV-935;OV935;soticlestat
• Poids moléculaire: 373.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-benzylpiperidines
• Alternative Parents: Bipyridines and oligopyridines Pyridinecarboxylic acids and derivatives N-acylpiperidines Benzene and substituted derivatives Tertiary carboxylic acid amides Tertiary alcohols Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-benzylpiperidine - Bipyridine - N-acyl-piperidine - Pyridine carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary alcohol - Carboxamide group - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 4-position of a piperidine.
• 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

Cibles associées (humaines)

CYP46A1 Tchem Cholesterol 24-hydroxylase (0 Activities)

Discover Target: CYP46A1

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

CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)

Discover Target: CYP2C8

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

Cibles associées (non humaines)

Mus musculus (284745 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 373.400 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 373.179 Da
• Monoisotopic Mass: 373.179 Da
• Topological Polar Surface Area: 66.300 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 506.000
• 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