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HG-10-102-01 - 98%, high purity , CAS No.1351758-81-0, Inhibitor of Janus kinase 2;Inhibitor of leucine rich repeat kinase 2
Basic Description
| Synonyms | [4-[[5-Chloro-4-(methylamino)-2-pyrimidinyl]amino]-3-methoxyphenyl]-4-morpholinylmethanone；(E)-(4-((5-chloro-6-(methylimino)-1,6-dihydropyrimidin-2-yl)amino)-2-methoxyphenyl)(morpholino)methanone |
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| Specifications & Purity | Moligand™, ≥98% |
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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 Janus kinase 2;Inhibitor of leucine rich repeat kinase 2 |
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| Product Description | Product Describtion:
HG-10-102-01 is a potent and selective inhibitor of wild-type LRRK2 with IC50 of 23.3 nM and the G2019S mutant with IC50 of 3.2 nM.
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Names and Identifiers
| IUPAC Name | [4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone |
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| INCHI | InChI=1S/C17H20ClN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22) |
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| InChi Key | YEVOZZZLKJKCCD-UHFFFAOYSA-N |
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| Canonical SMILES | CNC1=NC(=NC=C1Cl)NC2=C(C=C(C=C2)C(=O)N3CCOCC3)OC |
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| Isomeric SMILES | CNC1=NC(=NC=C1Cl)NC2=C(C=C(C=C2)C(=O)N3CCOCC3)OC |
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| PubChem CID | 58539301 |
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| MeSH Entry Terms | (11C)HG-10-102-01;(4-((5-chloro-4-(methylamino)pyrimidin-2-yl)amino)-3-methoxyphenyl)(morpholino)methanone;HG-10-102-01 |
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| Molecular Weight | 377.83 |
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Chemical and Physical Properties
| Solubility | insoluble in H2O; ≥18.9 mg/mL in DMSO; ≥7.64 mg/mL in EtOH with ultrasonic |
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Safety and Hazards(GHS)
| Pictogram(s) | GHS07 |
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| Signal | Warning |
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| Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation |
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| Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. |
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References
| 1. Chen H, Chan BK, Drummond J, Estrada AA, Gunzner-Toste J, Liu X, Liu Y, Moffat J, Shore D, Sweeney ZK et al.. (2012) Discovery of selective LRRK2 inhibitors guided by computational analysis and molecular modeling.. J Med Chem, 55 (11): (5536-45). [PMID:22591441] |
| 2. Choi HG, Zhang J, Deng X, Hatcher JM, Patricelli MP, Zhao Z, Alessi DR, Gray NS. (2012) Brain Penetrant LRRK2 Inhibitor.. ACS Med Chem Lett, 3 (8): (658-662). [PMID:23066449] |
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