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Moligand™, ≥99% Moligand™ 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.
Information
Daprodustat (GSK1278863) Daprodustat (GSK1278863) is an orally administered hypoxia-inducible factor-prolyl hydroxylase ( HIF-PH ) inhibitor. Phase 2.
Targets
HIF-PH
In vitro
GSK1278863 induces an effective EPO response and stimulates non-EPO mechanisms for erythropoiesis.
| ALogP | 1.747 |
|---|---|
| hba_count | 5 |
| HBD Count | 1 |
| Rotatable Bond | 5 |
| Pubchem Sid | 504772627 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772627 |
| Canonical Smiles | C1CCC(CC1)N2C(=O)C(C(=O)N(C2=O)C3CCCCC3)C(=O)NCC(=O)O |
| IUPAC Name | 2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid |
| InChIKey | RUEYEZADQJCKGV-UHFFFAOYSA-N |
| INCHI | 1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,15H,1-11H2,(H,20,25)(H,23,24) |
| Isomeric SMILES | C1CCC(CC1)N2C(=O)C(C(=O)N(C2=O)C3CCCCC3)C(=O)NCC(=O)O |
| Molecular Weight | 393.43 |
| Reaxy-Rn | 29787380 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29787380&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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives |
| Direct Parent | N-acyl-alpha amino acids |
| Alternative Parents | Barbituric acid derivatives N-acyl ureas Diazinanes 1,3-dicarbonyl compounds Dicarboximides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | N-acyl-alpha-amino acid - Barbiturate - N-acyl urea - Pyrimidone - Ureide - 1,3-diazinane - Pyrimidine - 1,3-dicarbonyl compound - Dicarboximide - Urea - Secondary carboxylic acid amide - Carboxamide group - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. |
| External Descriptors | Not available |
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| Solubility | Solubility (25°C) In vitro DMSO: 20 mg/mL warmed with 50ºC Water: bath (50.83 mM); Water: Insoluble; Ethanol: Insoluble; |
|---|---|
| DMSO(mg / mL) Max Solubility | 10 |
| DMSO(mM) Max Solubility | 25.41748214 |
| Water(mg / mL) Max Solubility | <1 |
| Molecular Weight | 393.400 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 393.19 Da |
| Monoisotopic Mass | 393.19 Da |
| Topological Polar Surface Area | 124.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 627.000 |
| 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 |
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