S20 - Moligand™ , Agonist of Pregnane X receptor, CAS No.S613358, Agonist of Pregnane X receptor

CAS: S613358 Cat. No.: S613358 PubChem CID: 56947089
DISPONIBLE À COMMANDE
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
S20 (racemate);S20 racemic mixture
Storage
Room temperature
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Size
Allemagne (EU)
USA*
Price
Qty
5mg
S613358-5mg
Sur commande · 8–12 semaines
694,10€
25mg
S613358-25mg
Sur commande · 8–12 semaines
1 488,09€
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonymes
S20 (racemate);S20 racemic mixture
Spécifications et pureté
Moligand™
Conditions de stockage de stockage
Room temperature
Grade
Moligand™
Type d'action
AGONIST
Mécanisme d'action
Agonist of Pregnane X receptor
Noms et identifiants
Sourires canoniquesCC(NC(=O)C1(C)CC1C(c1ccccc1)NC(=O)OCc1ccccc1)C
IUPAC Namebenzyl N-({2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl}(phenyl)methyl)carbamate
InChIKeyONJDWAYKGBYQHM-UHFFFAOYSA-N
INCHI1S/C23H28N2O3/c1-16(2)24-21(26)23(3)14-19(23)20(18-12-8-5-9-13-18)25-22(27)28-15-17-10-6-4-7-11-17/h4-13,16,19-20H,14-15H2,1-3H3,(H,24,26)(H,25,27)
Isomères SMILES CC(C)NC(=O)C1(CC1C(C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C
PubChem CID 56947089

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassBenzyloxycarbonyls
Intermediate Tree Nodes Not available
Direct ParentBenzyloxycarbonyls
Alternative Parents Cyclopropanecarboxylic acids and derivatives  Carbamate esters  Secondary carboxylic acid amides  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzyloxycarbonyl - Cyclopropanecarboxylic acid or derivatives - Carbamic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
NR1I2 Tchem Nuclear receptor subfamily 1 group I member 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Calculateurs de solution
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