for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
4-[(1-oxo-7-phenylheptyl)amino]-(4R)-octanoic acid a simple amide based on (R)-α-norleucine, is a selective and potent inhibitor of sPLA2. It exhibits 95% inhibition (XI(50) = 0.003) of sPLA2 at 0.091 mole fraction without affecting the activities of cPLA2 or iPLA2.
| pKa | pKₐ: 4.6 (Predicted) |
|---|
| Canonical Smiles | CCCCC(CCC(=O)O)NC(=O)CCCCCCC1=CC=CC=C1 |
|---|---|
| IUPAC Name | (4R)-4-(7-phenylheptanoylamino)octanoic acid |
| InChIKey | ANTPELWBOPVWPH-LJQANCHMSA-N |
| INCHI | 1S/C21H33NO3/c1-2-3-14-19(16-17-21(24)25)22-20(23)15-10-5-4-7-11-18-12-8-6-9-13-18/h6,8-9,12-13,19H,2-5,7,10-11,14-17H2,1H3,(H,22,23)(H,24,25)/t19-/m1/s1 |
| Isomeric SMILES | CCCC[C@H](CCC(=O)O)NC(=O)CCCCCCC1=CC=CC=C1 |
| PubChem CID | 44563080 |
| Molecular Weight | 347.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Gamma amino acids and derivatives |
| Alternative Parents | Medium-chain fatty acids Amino fatty acids N-acyl amines Benzene and substituted derivatives Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Gamma amino acid or derivatives - Medium-chain fatty acid - Amino fatty acid - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Fatty acid - Benzenoid - N-acyl-amine - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Solubility | Soluble in ethanol (~20 mg/ml), DMF (~20 mg/ml), and DMSO (~20 mg/ml). |
|---|---|
| Refractive Index | n20D1.51 (Predicted) |
| Boil Point(°C) | ~567.8° C at 760 mmHg (Predicted) |
| Molecular Weight | 347.500 g/mol |
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 14 |
| Exact Mass | 347.246 Da |
| Monoisotopic Mass | 347.246 Da |
| Topological Polar Surface Area | 66.400 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 364.000 |
| 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 |
![4-[(1-oxo-7-phenylheptyl)amino]-(4R)-octanoic acid - CAS No(1101136-50-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/O/3/O346198.png)