Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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I332025-1g
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1g |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$11.90
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I332025-5g
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5g |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$39.90
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I332025-25g
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25g |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$129.90
|
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a Cox inhibitor with greater activity against Cox-1 than Cox-2
| Synonyms | 2-(p-isobutylphenyl)propionic acid sodium salt | Bio2_000870 | Hydratropic acid, p-isobutyl-, sodium salt | W-110791 | Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, sodium salt | CHEBI:52768 | EINECS 250-477-6 | AKOS015994627 | AKOS005605558 | Ibu |
|---|---|
| Specifications & Purity | Moligand™, ≥98% |
| Biochemical and Physiological Mechanisms | Cyclooxygenase (COX) inhibitor that has greater activity against COX-1 than against COX-2. |
| Storage Temp | Store at 2-8°C |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
| Grade | Moligand™ |
| Product Description |
Ibuprofen belongs to the class of non-steroidal anti-inflammatory drugs, widely used for the treatment of mild to moderate pain and several forms of arthritis.
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Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Phenylpropanoic acids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanoic acids |
| Alternative Parents | Monocyclic monoterpenoids Aromatic monoterpenoids Phenylpropanes Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 2-phenylpropanoic-acid - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Monocyclic monoterpenoid - Phenylpropane - Monocyclic benzene moiety - Benzenoid - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Organooxygen compound - Organic salt - Organic sodium salt - Carbonyl group - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid. |
| External Descriptors | Not available |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| IUPAC Name | sodium;2-[4-(2-methylpropyl)phenyl]propanoate |
|---|---|
| INCHI | InChI=1S/C13H18O2.Na/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);/q;+1/p-1 |
| InChIKey | PTTPUWGBPLLBKW-UHFFFAOYSA-M |
| Smiles | CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].[Na+] |
| Isomeric SMILES | CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].[Na+] |
| Alternate CAS | 15687-27-1 |
| Molecular Weight | 228.26 |
| Reaxy-Rn | 6579996 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6579996&ln= |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Apr 29, 2025 | I332025 | |
| Certificate of Analysis | Apr 29, 2025 | I332025 | |
| Certificate of Analysis | Apr 29, 2025 | I332025 | |
| Certificate of Analysis | Apr 29, 2025 | I332025 | |
| Certificate of Analysis | Apr 29, 2025 | I332025 | |
| Certificate of Analysis | Apr 29, 2025 | I332025 |
| Sensitivity | Moisture sensitive |
|---|---|
| Molecular Weight | 228.260 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 228.113 Da |
| Monoisotopic Mass | 228.113 Da |
| Topological Polar Surface Area | 40.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 208.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
| 1. Fan Xiaocheng, Wang Ting, Miao Wenkai. (2018) The preparation of pH-sensitive hydrogel based on host-guest and electrostatic interactions and its drug release studies in vitro. JOURNAL OF POLYMER RESEARCH, 25 (10): (1-10). |