≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
GRA Ex-25 is a Glukagon receptor inhibitor with IC50 of 56 nM and 55 nM for rat and human Glukagon receptors, respectively.
| Canonical Smiles | CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(=O)NC3=CC=C(C=C3)OC(F)(F)F |
|---|---|
| IUPAC Name | 3-[[4-[[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]benzoyl]amino]propanoic acid |
| InChIKey | BZXMLCVDKDXRQY-UHFFFAOYSA-N |
| INCHI | 1S/C29H36F3N3O5/c1-28(2,3)21-8-12-23(13-9-21)35(27(39)34-22-10-14-24(15-11-22)40-29(30,31)32)18-19-4-6-20(7-5-19)26(38)33-17-16-25(36)37/h4-7,10-11,14-15,21,23H,8-9,12-13,16-18H2,1-3H3,(H,33,38)(H,34,39)(H,36,37) |
| Isomeric SMILES | CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(=O)NC3=CC=C(C=C3)OC(F)(F)F |
| Molecular Weight | 563.61 |
| Reaxy-Rn | 11750253 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11750253&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives |
| Direct Parent | Beta amino acids and derivatives |
| Alternative Parents | N-phenylureas Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Ureas Trihalomethanes Secondary carboxylic acid amides Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organofluorides Organonitrogen compounds Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Beta amino acid or derivatives - N-phenylurea - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Monocyclic benzene moiety - Benzenoid - Trihalomethane - Urea - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2426810 | Certificate of Analysis | Jan 19, 2024 | G412374 |
| B2426811 | Certificate of Analysis | Jan 19, 2024 | G412374 |
| B2426812 | Certificate of Analysis | Jan 19, 2024 | G412374 |
| B2426819 | Certificate of Analysis | Jan 19, 2024 | G412374 |
| B2426820 | Certificate of Analysis | Jan 19, 2024 | G412374 |
| B2426821 | Certificate of Analysis | Jan 19, 2024 | G412374 |
| B2426822 | Certificate of Analysis | Jan 19, 2024 | G412374 |
| B2426823 | Certificate of Analysis | Jan 19, 2024 | G412374 |
| Molecular Weight | 563.600 g/mol |
|---|---|
| XLogP3 | 5.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 10 |
| Exact Mass | 563.261 Da |
| Monoisotopic Mass | 563.261 Da |
| Topological Polar Surface Area | 108.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 839.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
