Axitirome , CAS No.156740-57-7

CAS: 156740-57-7 Cat. No.: A668108 Formula: C25H24FNO6 Peso molecolare: 453.5 PubChem CID: 166559
Disponibile su ordine
Synonyms
Axitirome|Cgs 26214|Cgs-26214|Ethyl (+-)-((4-(3-((4-fluorophenyl)hydroxymethyl)-4-hydroxyphenoxy)-3,5-dimethylphenyl)amino)oxoacetate|Axitirome [USAN:INN]|AXITIROME [INN]|Axitirome (USAN/INN)|AXITIROME [USAN]|CGS26214|ethyl 2-[4-[3-[(4-fluorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetate|Ethyl (+-)-4'-((alpha-(p-fluorophenyl)-alpha,4-dihydroxy-m-tolyl)oxy)-3',5'-dimethyloxanilate|ETHYL (+/-)-((4-(3-((4-FLUOROPHENYL)HYDROXYMETHYL)-4-HYDROXYPHENOXY)-3,5-DIMETHYLPHENYL)AMINO)OXOACETATE|ETHYL (+/-)-4'-((.ALPHA.-(P-FLUOROPHENYL)-.ALPHA.,4-DIHYDROXY-M-TOLYL)OXY)-3',5'-DIMETHYLOXANILATE|Ethyl (4-{3-[(4-fluorophenyl)(hydroxy)methyl]-4-hydroxyphenoxy}-3,5-dimethylanilino)(oxo)acetate|Ethyl 2-((4-(3-((4-fluorophenyl)(hydroxy)methyl)-4-hydroxyphenoxy)-3,5-dimethylphenyl)amino)-2-oxoacetate|N-(4-{3-[(4-Fluoro-phenyl)-hydroxy-methyl]-4-hydroxy-phenoxy}-3,5-dimethyl-phenyl)-oxalamic acid ethyl ester
Storage
Room temperature
★
Dimensione
Germania (EU)
USA*
Prezzo
Qtà
1mg
A668108-1mg
Su ordinazione · 8–12 settimane

496,26€

744,43€
Salva 248,17 € (33.34%)
5mg
A668108-5mg
Su ordinazione · 8–12 settimane

1.735,39€

2.603,13€
Salva 867,74 € (33.33%)
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Specifiche

Sinonimi
Axitirome | Cgs 26214 | Cgs-26214 | Ethyl (+-)-((4-(3-((4-fluorophenyl)hydroxymethyl)-4-hydroxyphenoxy)-3,5-dimethylphenyl)amino)oxoacetate | Axitirome [USAN:INN] | AXITIROME [INN] | Axitirome (USAN/INN) | AXITIROME [USAN] | CGS26214 | ethyl 2-[4-[3-[(4-fluorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetate | Eth Mostra altro
Condizioni di conservazione di stoccaggio
Room temperature
Proprietà del prodotto
ALogP
5.1
Nomi e identificatori
Sorrisi canonici
CCOC(=O)C(=O)NC1=CC(=C(C(=C1)C)OC2=CC(=C(C=C2)O)C(C3=CC=C(C=C3)F)O)C
IUPAC Name
ethyl 2-[4-[3-[(4-fluorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetate
InChIKey
FUBBWDWIGBTUPQ-UHFFFAOYSA-N
INCHI
1S/C25H24FNO6/c1-4-32-25(31)24(30)27-18-11-14(2)23(15(3)12-18)33-19-9-10-21(28)20(13-19)22(29)16-5-7-17(26)8-6-16/h5-13,22,28-29H,4H2,1-3H3,(H,27,30)
Isomeri SMILES
CCOC(=O)C(=O)NC1=CC(=C(C(=C1)C)OC2=CC(=C(C=C2)O)C(C3=CC=C(C=C3)F)O)C
PubChem CID
166559
Peso molecolare
453.5

Dati avanzati

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassDiphenylmethanes
Intermediate Tree Nodes Not available
Direct ParentDiphenylmethanes
Alternative Parents Diphenylethers  Diarylethers  Alpha amino acids and derivatives  Anilides  m-Xylenes  Phenoxy compounds  Phenol ethers  N-arylamides  1-hydroxy-2-unsubstituted benzenoids  Fluorobenzenes  Aryl fluorides  Secondary carboxylic acid amides  Secondary alcohols  Carboxylic acid esters  Monocarboxylic acids and derivatives  Carbonyl compounds  Hydrocarbon derivatives  Aromatic alcohols  Organic oxides  Organofluorides  Organopnictogen compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Diphenylmethane - Diphenylether - Diaryl ether - Alpha-amino acid or derivatives - Anilide - M-xylene - Xylene - Phenoxy compound - N-arylamide - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Phenol - Aryl fluoride - Aryl halide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organohalogen compound - Aromatic alcohol - Organic nitrogen compound - Alcohol - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
DescrizioneThis 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
Struttura 3D
Modello di struttura chimica interattiva





Obiettivi associati (umani)
THRA Tclin Thyroid hormone receptor alpha (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
THRB Tclin Thyroid hormone receptor beta (1 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
Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Peso molecolare453.500 g/mol
XLogP35.100
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass453.159 Da
Monoisotopic Mass453.159 Da
Topological Polar Surface Area105.000 Ų
Heavy Atom Count33
Formal Charge0
Complexity643.000
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
Calcolatori di soluzioni
Recensioni

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