NH-3 - Moligand™ , Antagonist of Thyroid hormone receptor-α;Antagonist of Thyroid hormone receptor-β, CAS No.N612290, Antagonist of Thyroid hormone receptor-α;Antagonist of Thyroid hormone receptor-β

CAS: N612290 Cat. No.: N612290 PubChem CID: 10027822
Disponível para encomenda
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
BDBM18885 | GTPL2633 | Acetic acid, (4-((4-hydroxy-3-(1-methylethyl)-5-((4-nitrophenyl)ethynyl)phenyl)methyl)-3,5-dimethylphenoxy)- | EX-A6701 | UNII-54KY638G8W | 54KY638G8W | 2-[4-[[4-hydroxy-3-[2-(4-nitrophenyl)ethynyl]-5-propan-2-ylphenyl]methyl]-3,5-d
Storage
Room temperature
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Size
Alemanha (EU)
USA*
Price
Qty
5mg
N612290-5mg
Sob encomenda · 8–12 semanas

991,74€

1158,34€
Gravar 166,61 € (14.38%)
25mg
N612290-25mg
Sob encomenda · 8–12 semanas
1580,07€
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.

🌡

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.

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Literature proof

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

Specifications

Sinónimos
BDBM18885 | GTPL2633 | Acetic acid, (4-((4-hydroxy-3-(1-methylethyl)-5-((4-nitrophenyl)ethynyl)phenyl)methyl)-3,5-dimethylphenoxy)- | EX-A6701 | UNII-54KY638G8W | 54KY638G8W | 2-[4-[[4-hydroxy-3-[2-(4-nitrophenyl)ethynyl]-5-propan-2-ylphenyl]methyl]-3,5-d
Especificações e pureza
Moligand™
Condições de armazenamento de armazenamento
Room temperature
Grau
Moligand™
Tipo de ação
ANTAGONIST
Mecanismo de ação
Antagonist of Thyroid hormone receptor-α;Antagonist of Thyroid hormone receptor-β
Nomes e identificadores
Sorrisos canónicosOC(=O)COc1cc(C)c(c(c1)C)Cc1cc(C(C)C)c(c(c1)C#Cc1ccc(cc1)[N+](=O)[O-])O
IUPAC Name2-[4-[[4-hydroxy-3-[2-(4-nitrophenyl)ethynyl]-5-propan-2-ylphenyl]methyl]-3,5-dimethylphenoxy]acetic acid
InChIKeyIXMROOKFPWGDGF-UHFFFAOYSA-N
INCHI1S/C28H27NO6/c1-17(2)25-14-21(15-26-18(3)11-24(12-19(26)4)35-16-27(30)31)13-22(28(25)32)8-5-20-6-9-23(10-7-20)29(33)34/h6-7,9-14,17,32H,15-16H2,1-4H3,(H,30,31)
SMILES isoméricas CC1=CC(=CC(=C1CC2=CC(=C(C(=C2)C(C)C)O)C#CC3=CC=C(C=C3)[N+](=O)[O-])C)OCC(=O)O
PubChem CID 10027822

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
SubclassDiphenylmethanes
Intermediate Tree Nodes Not available
Direct ParentDiphenylmethanes
Alternative Parents Phenoxyacetic acid derivatives  Phenylpropanes  Cumenes  Nitrobenzenes  m-Xylenes  Phenoxy compounds  Phenol ethers  Nitroaromatic compounds  Alkyl aryl ethers  Phenols  Propargyl-type 1,3-dipolar organic compounds  Carboxylic acids  Monocarboxylic acids and derivatives  Organic oxoazanium compounds  Carbonyl compounds  Hydrocarbon derivatives  Organic salts  Organonitrogen compounds  Organic oxides  Organic cations  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Diphenylmethane - Phenoxyacetate - Cumene - Nitrobenzene - Phenylpropane - Phenoxy compound - Nitroaromatic compound - M-xylene - Xylene - Phenol ether - Alkyl aryl ether - Phenol - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organic cation - Aromatic homomonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
THRA Tclin Thyroid hormone receptor alpha (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
THRB Tclin Thyroid hormone receptor beta (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
THRA Tclin Thyroid hormone receptor alpha (894 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Peso molecular473.500 g/mol
XLogP36.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass473.184 Da
Monoisotopic Mass473.184 Da
Topological Polar Surface Area113.000 Ų
Heavy Atom Count35
Formal Charge0
Complexity774.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

Avaliações dos Clientes

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