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Darovasertib - 99%, high purity , CAS No.1874276-76-2, Inhibitor of protein kinase C alpha;Inhibitor of protein kinase C theta
Basic Description
| Synonyms | UNII-E0YF0M8O09 | EN300-26212118 | darovasertib | TOLTERODINE [WHO-DD] | 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide | AKOS040758778 | GTPL11186 | NSC800030 | NSC-800030 | US9452998, |
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| Specifications & Purity | Moligand™, ≥99% |
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| Biochemical and Physiological Mechanisms | Darovasertib (LXS-196, IDE-196) is a selective inhibitor of protein kinase C (PKC). |
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| Storage Temp | Store at -20°C |
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| Shipped In | Ice chest + Ice pads |
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| Grade | Moligand™ |
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| Action Type | INHIBITOR |
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| Mechanism of action | Inhibitor of protein kinase C alpha;Inhibitor of protein kinase C theta |
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| Product Description | Information Darovasertib (LXS-196) Darovasertib (LXS-196, IDE-196) is a selective inhibitor of protein kinase C (PKC) .
Targets PKC |
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Product Properties
| ALogP | 1.6 |
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| HBD Count | 3 |
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| Rotatable Bond | 5 |
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Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 504772893 |
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| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772893 |
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| IUPAC Name | 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide |
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| INCHI | InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34) |
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| InChi Key | XXJXHXJWQSCNPX-UHFFFAOYSA-N |
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| Canonical SMILES | CC1(CCN(CC1)C2=C(N=CC=C2)NC(=O)C3=NC(=CN=C3N)C4=C(C=CC=N4)C(F)(F)F)N |
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| Isomeric SMILES | CC1(CCN(CC1)C2=C(N=CC=C2)NC(=O)C3=NC(=CN=C3N)C4=C(C=CC=N4)C(F)(F)F)N |
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| PubChem CID | 118873253 |
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| Molecular Weight | 472.47 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Solubility | Solubility (25°C) In vitro DMSO: 60 mg/mL (126.99 mM); Ethanol: 20 mg/mL (42.33 mM); Water: Insoluble; |
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| DMSO(mg / mL) Max Solubility | 22 |
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| DMSO(mM) Max Solubility | 46.5638029927826 |
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| Water(mg / mL) Max Solubility | ＜1 |
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| Molecular Weight | 472.500 g/mol |
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| XLogP3 | 1.900 |
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| Hydrogen Bond Donor Count | 3 |
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| Hydrogen Bond Acceptor Count | 11 |
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| Rotatable Bond Count | 4 |
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| Exact Mass | 472.195 Da |
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| Monoisotopic Mass | 472.195 Da |
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| Topological Polar Surface Area | 136.000 Ų |
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| Heavy Atom Count | 34 |
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| Formal Charge | 0 |
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| Complexity | 702.000 |
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| Isotope Atom Count | 0 |
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| Defined Atom Stereocenter Count | 0 |
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| Undefined Atom Stereocenter Count | 0 |
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| Defined Bond Stereocenter Count | 0 |
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| Undefined Bond Stereocenter Count | 0 |
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| The total count of all stereochemical bonds | 0 |
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| Covalently-Bonded Unit Count | 1 |
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