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| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
Adomeglivant Adomeglivant (LY2409021) is a potent and selective antagonist of glukagon receptor that is used as a chronic treatment for type 2 diabetes.
Targets
Glukagon Receptor
| ALogP | 7.839 |
|---|---|
| hba_count | 3 |
| Recuento HBD | 1 |
| Enlace rotable | 12 |
| Sonrisas canónicas | CC1=CC(=CC(=C1C2=CC=C(C=C2)C(C)(C)C)C)OC(CCC(F)(F)F)C3=CC=C(C=C3)C(=O)NCCC(=O)O |
|---|---|
| IUPAC Name | 3-[[4-[(1S)-1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]-4,4,4-trifluorobutyl]benzoyl]amino]propanoic acid |
| InChIKey | FASLTMSUPQDLIB-MHZLTWQESA-N |
| INCHI | 1S/C32H36F3NO4/c1-20-18-26(19-21(2)29(20)23-10-12-25(13-11-23)31(3,4)5)40-27(14-16-32(33,34)35)22-6-8-24(9-7-22)30(39)36-17-15-28(37)38/h6-13,18-19,27H,14-17H2,1-5H3,(H,36,39)(H,37,38)/t27-/m0/s1 |
| Isómeros SMILES | CC1=CC(=CC(=C1C2=CC=C(C=C2)C(C)(C)C)C)O[C@@H](CCC(F)(F)F)C3=CC=C(C=C3)C(=O)NCCC(=O)O |
| CAS alternativo | 872260-20-3,1488363-78-5 |
| Términos de entrada MeSH | (+)-adomeglivant;(+-)-adomeglivant;(-)-adomeglivant;3-(4-((1R)-1-((4'-tert-butyl-2,6-dimethylbiphenyl-4-yl)oxy)-4,4,4-trifluorobutyl)benzamido)propanoic acid;3-(4-((1S)-1-((4'-tert-butyl-2,6-dimethylbiphenyl-4-yl)oxy)-4,4,4-trifluorobutyl)benzamido)propan |
| Peso molecular | 555.63 |
| Reaxy-Rn | 12479521 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12479521&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenyls and derivatives |
| Alternative Parents | Beta amino acids and derivatives Benzamides Phenylpropanes m-Xylenes Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides Organonitrogen compounds Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Biphenyl - Beta amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenylpropane - Phenoxy compound - M-xylene - Xylene - Benzoyl - Phenol ether - Alkyl aryl ether - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Alkyl fluoride - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. |
| External Descriptors | Not available |
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| DMSO (mg/ml) Solubilidad máxima | 100 |
|---|---|
| DMSO (mM) Solubilidad máxima | 179.975883231647 |
| Agua (mg/ml) Solubilidad máxima | <1 |
| Peso molecular | 555.600 g/mol |
| XLogP3 | 8.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Exact Mass | 555.26 Da |
| Monoisotopic Mass | 555.26 Da |
| Topological Polar Surface Area | 75.600 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 798.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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