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.
BW 245C is a selective agonist for the DP (DP|1|receptor) where the K|i|for the inhibition of [3H]-PGD2 binding to isolated human platelet membranes is 0.9 nM. This compound has a reported IC50 of 2.5 nM for the inhibition of ADP-induced human platelet aggregation.
| pKa | pKₐ: 4.77 (Predicted) |
|---|---|
| Ki Data | [3H]-PGD2 binding to isolated human platelet membranes: Ki= 0.9 nM |
| Canonical Smiles | C1CCC(CC1)C(CCN2C(C(=O)NC2=O)CCCCCCC(=O)O)O |
|---|---|
| IUPAC Name | 7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxypropyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid |
| InChIKey | ZIDQIOZJEJFMOH-JKSUJKDBSA-N |
| INCHI | 1S/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14-16,22H,1-13H2,(H,23,24)(H,20,25,26)/t15-,16+/m0/s1 |
| Isomeric SMILES | C1CCC(CC1)[C@@H](CCN2[C@H](C(=O)NC2=O)CCCCCCC(=O)O)O |
| Molecular Weight | 368.47 |
| Reaxy-Rn | 964618 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=964618&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azolidines |
| Subclass | Imidazolidines |
| Intermediate Tree Nodes | Imidazolidinones - Imidazolidinediones |
| Direct Parent | Hydantoins |
| Alternative Parents | Alpha amino acids and derivatives Medium-chain fatty acids Amino fatty acids N-acyl ureas Heterocyclic fatty acids Hydroxy fatty acids Dicarboximides Secondary alcohols Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Hydantoin - Alpha-amino acid or derivatives - Medium-chain fatty acid - Amino fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - N-acyl urea - Ureide - Fatty acyl - Fatty acid - Dicarboximide - Secondary alcohol - Urea - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Organooxygen compound - Organic oxide - Organopnictogen compound - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4. |
| External Descriptors | Not available |
| Solubility | Soluble in ethanol (~50 mg/ml), DMSO (~50 mg/ml), DMF (~50 mg/ml), PBS(pH7.2) (~2.2 mg/ml), and water (sparingly). |
|---|---|
| Refractive Index | n20D1.52 (Predicted) |
| Molecular Weight | 368.500 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 11 |
| Exact Mass | 368.231 Da |
| Monoisotopic Mass | 368.231 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 490.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
