Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
Moligand™, ≥98% 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
Avacopan (CCX168) Avacopan (CCX168) is an orally administered and selective C5a receptor (C5aR) antagonist.
Targets
C5aR
| ALogP | 7.579 |
|---|---|
| hba_count | 2 |
| Recuento HBD | 2 |
| Enlace rotable | 7 |
| Pubchem Sid | 504770945 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504770945 |
| Sonrisas canónicas | CC1=C(C(=CC=C1)F)C(=O)N2CCCC(C2C3=CC=C(C=C3)NC4CCCC4)C(=O)NC5=CC(=C(C=C5)C)C(F)(F)F |
| IUPAC Name | (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide |
| InChIKey | PUKBOVABABRILL-YZNIXAGQSA-N |
| INCHI | 1S/C33H35F4N3O2/c1-20-12-15-25(19-27(20)33(35,36)37)39-31(41)26-10-6-18-40(32(42)29-21(2)7-5-11-28(29)34)30(26)22-13-16-24(17-14-22)38-23-8-3-4-9-23/h5,7,11-17,19,23,26,30,38H,3-4,6,8-10,18H2,1-2H3,(H,39,41)/t26-,30-/m0/s1 |
| Isómeros SMILES | CC1=C(C(=CC=C1)F)C(=O)N2CCC[C@@H]([C@@H]2C3=CC=C(C=C3)NC4CCCC4)C(=O)NC5=CC(=C(C=C5)C)C(F)(F)F |
| CAS alternativo | 1346623-17-3 |
| Términos de entrada MeSH | avacopan;CCX168 |
| Peso molecular | 581.64 |
| Reaxy-Rn | 25147732 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25147732&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 →| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Apr 03, 2025 | A412409 | |
| Certificate of Analysis | Apr 03, 2025 | A412409 | |
| Certificate of Analysis | Apr 03, 2025 | A412409 | |
| Certificate of Analysis | Apr 03, 2025 | A412409 |
| Solubilidad | Solubility (25°C) In vitro DMSO: 100 mg/mL (171.92 mM); Ethanol: 20 mg/mL (34.38 mM); Water: Insoluble; |
|---|---|
| DMSO (mg/ml) Solubilidad máxima | 100 |
| DMSO (mM) Solubilidad máxima | 171.927652843683 |
| Agua (mg/ml) Solubilidad máxima | <1 |
| Peso molecular | 581.600 g/mol |
| XLogP3 | 7.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 581.267 Da |
| Monoisotopic Mass | 581.267 Da |
| Topological Polar Surface Area | 61.400 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 917.000 |
| 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 |
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