CGP 20712A - Moligand™ , Antagonist of β 1-adrenoceptor;Antagonist of β 3-adrenoceptor, CAS No.137888-49-4, Antagonist of β 1-adrenoceptor;Antagonist of β 3-adrenoceptor

CAS: 137888-49-4 Cat. No.: C608497 PubChem CID: 2685
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.
Synonyms
SDCCGSBI-0050352.P002 | (+/-)-2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)-1h-imidazol-2-yl]phenoxy]propyl]amino]ethoxy]-benzamide | NCGC00024944-04 | NCGC00024944-08 | UNII-SIO2UEZ19H | Lopac0_000364 | CGP20712A | CGP-20712A | PDSP1_0008
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
C608497-5mg
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
C608497-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
1.500,90US$
Enter a quantity for the sizes you want to add.
🧪

Why this grade

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

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

Specifications

Sinónimos
SDCCGSBI-0050352.P002 | (+/-)-2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)-1h-imidazol-2-yl]phenoxy]propyl]amino]ethoxy]-benzamide | NCGC00024944-04 | NCGC00024944-08 | UNII-SIO2UEZ19H | Lopac0_000364 | CGP20712A | CGP-20712A | PDSP1_0008
Especificaciones y pureza
Moligand™
Condiciones de almacenamiento de almacenamiento
Room temperature
Grado
Moligand™
Tipo de acción
ANTAGONIST
Mecanismo de acción
Antagonist of β 1-adrenoceptor;Antagonist of β 3-adrenoceptor
Nombres e identificadores
Sonrisas canónicasCN1C=C(N=C1C2=CC=C(C=C2)OCC(CNCCOC3=CC(=C(C=C3)O)C(=O)N)O)C(F)(F)F
IUPAC Name2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide
InChIKeyGKJZEKSHCJELPL-UHFFFAOYSA-N
INCHI1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)
Isómeros SMILES CN1C=C(N=C1C2=CC=C(C=C2)OCC(CNCCOC3=CC(=C(C=C3)O)C(=O)N)O)C(F)(F)F
CAS alternativo 137888-49-4,81015-67-0
PubChem CID 2685
Términos de entrada MeSH 1-(2-((3-carbamoyl-4-hydroxy)phenoxy)ethylamino)-3-(4-(1-methyl-4-trifluoromethyl-2-imidazoylyl)phenoxy)-2-propanol methanesulfonate;2-hydroxy-5-(2-(hydroxy-3-(4-((1-methyl-4-trifluoromethyl)-1H-imidazol-2-yl)phenoxy)propyl)aminoethoxy)benzamide;CGP 20712

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
SuperclassOrganoheterocyclic compounds
ClaseAzoles
SubclassImidazoles
Intermediate Tree Nodes Substituted imidazoles
Direct ParentPhenylimidazoles
Alternative Parents Salicylamides  Benzamides  4-alkoxyphenols  Benzoyl derivatives  1,2,4-trisubstituted imidazoles  Phenol ethers  Phenoxy compounds  1-hydroxy-2-unsubstituted benzenoids  Alkyl aryl ethers  N-substituted imidazoles  Heteroaromatic compounds  Vinylogous acids  1,2-aminoalcohols  Secondary alcohols  Amino acids and derivatives  Primary carboxylic acid amides  Dialkylamines  Azacyclic compounds  Alkyl fluorides  Hydrocarbon derivatives  Organic oxides  Organofluorides  Organopnictogen compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2-phenylimidazole - Salicylamide - Salicylic acid or derivatives - 4-alkoxyphenol - Benzamide - Benzoic acid or derivatives - 1,2,4-trisubstituted-imidazole - Phenoxy compound - Benzoyl - Phenol ether - Trisubstituted imidazole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Vinylogous acid - Heteroaromatic compound - Primary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Carboxamide group - 1,2-aminoalcohol - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organofluoride - Amine - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Alcohol - Organonitrogen compound - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ADRB3 Tclin Beta-3 adrenergic receptor (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADRB1 Tclin Beta-1 adrenergic receptor (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB3 Tclin Beta-3 adrenergic receptor (5850 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
pfk 6-phospho-1-fructokinase (7870 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular494.500 g/mol
XLogP32.300
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass494.178 Da
Monoisotopic Mass494.178 Da
Topological Polar Surface Area132.000 Ų
Heavy Atom Count35
Formal Charge0
Complexity666.000
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
Reseñas

Reseñas de cliente

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.