CpdA (parent molecule) - Moligand™ , Agonist of Glucocorticoid receptor, CAS No.136529-69-6, Agonist of Glucocorticoid receptor

CAS: 136529-69-6 Cat. No.: C609580 PubChem CID: 9838148
Disponible para pedir
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.
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
C609580-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.142,90US$

1.334,90US$
Guardar 192,00 US$ (14.38%)
25mg
C609580-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.714,90US$

2.000,90US$
Guardar 286,00 US$ (14.29%)
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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

Especificaciones y pureza
Moligand™
Condiciones de almacenamiento de almacenamiento
Room temperature
Grado
Moligand™
Tipo de acción
AGONIST
Mecanismo de acción
Agonist of Glucocorticoid receptor
Nombres e identificadores
Sonrisas canónicasCNCC(c1ccc(cc1)OC(=O)C)Cl
IUPAC Name[4-[1-chloro-2-(methylamino)ethyl]phenyl] acetate
InChIKeyVZCQEZNQVVYTJC-UHFFFAOYSA-N
INCHI1S/C11H14ClNO2/c1-8(14)15-10-5-3-9(4-6-10)11(12)7-13-2/h3-6,11,13H,7H2,1-2H3
Isómeros SMILES CC(=O)OC1=CC=C(C=C1)C(CNC)Cl
PubChem CID 9838148

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
ClasePhenol esters
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPhenol esters
Alternative Parents Phenoxy compounds  Aralkylamines  Carboxylic acid esters  Amino acids and derivatives  Monocarboxylic acids and derivatives  Dialkylamines  Organopnictogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl chlorides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenol ester - Phenoxy compound - Aralkylamine - Monocyclic benzene moiety - Carboxylic acid ester - Amino acid or derivatives - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
NR3C1 Tclin Glucocorticoid receptor (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular227.690 g/mol
XLogP31.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass227.071 Da
Monoisotopic Mass227.071 Da
Topological Polar Surface Area38.300 Ų
Heavy Atom Count15
Formal Charge0
Complexity203.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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