≥98% 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.
PQR626, a rapamycin derivative, is a potent, selective, orally active, and brain-penetrant mTOR inhibitor, with an IC 50 and K i of 5 nM and 3.6 nM, respectively. PQR626 can be can be used for the research of neurological disorders
In Vitro
PQR626 (0.04-5 μΜ; 1 hour) has IC 50 s of 197 nM and 87 nM for pPKB S473 and pS6 S235/S236, respectively, in-cell western blot. S6 kinase (S6K), S6 ribosomal protein (S6rP) and 4E-binding protein (4E-BP) are prominent downstream effectors of mTOR. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: A2058 cells Concentration: 0.04 μΜ, 0.08 μΜ, 0.155 μΜ, 0.3125 μΜ, 0.625 μΜ, 1.25 μΜ, 5 μΜ Incubation Time: 1 hour Result: Inhibited mTOR in cell.
In Vivo
PQR626 (10-50 mg/kg; twice a day; for 90 days) reduces the loss of Tsc1 -induced mortality as compared to vehicle. PQR626 exhibits terminal elimination half-life (mice 3.0 h) due to high plasma clearance (1096 ng/mL) following oral dosing (10 mg/kg; p.o.; daily; for 4 days). MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: BALB/c nude female mice, Tsc1 GFAP CKO mice modelDosage: 10 mg/kg, 25 mg/kg, 50 mg/kg Administration: Oral administration, twice a day, for 90 days Result: Significantly reduced the loss of Tsc1 -induced mortality. Animal Model: Female C57BL/6J Mice Dosage: 10 mg/kg (Pharmacokinetic Analysis) Administration: Oral administration, daily, for 4 days Result: C max (1096 ng/mL), T 1/2 (3.0 h).
Form:Solid
IC50& Target:IC50: 5 nM (mTOR)
| Canonical Smiles | CC1COCCN1C2=NC(=NC(=N2)C3=CN=C(C=C3C(F)F)N)N4C(COCC4C)C |
|---|---|
| IUPAC Name | 4-(difluoromethyl)-5-[4-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine |
| InChIKey | YXQKBQLVKBUCLZ-UPJWGTAASA-N |
| INCHI | 1S/C20H27F2N7O2/c1-11-8-30-5-4-28(11)19-25-18(15-7-24-16(23)6-14(15)17(21)22)26-20(27-19)29-12(2)9-31-10-13(29)3/h6-7,11-13,17H,4-5,8-10H2,1-3H3,(H2,23,24)/t11-,12-,13+/m1/s1 |
| Isomeric SMILES | C[C@@H]1COCCN1C2=NC(=NC(=N2)C3=CN=C(C=C3C(F)F)N)N4[C@@H](COC[C@@H]4C)C |
| PubChem CID | 121334440 |
| Molecular Weight | 435.47 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Halopyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Polyhalopyridines |
| Alternative Parents | Dialkylarylamines Methylpyridines Halo-S-triazines Aminotriazines 2-halopyridines Morpholines Imidolactams Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Polyhalopyridine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Halo-s-triazine - 2-halopyridine - Methylpyridine - Aminotriazine - Amino-1,3,5-triazine - 1,3,5-triazine - Imidolactam - Triazine - Oxazinane - Morpholine - Heteroaromatic compound - Tertiary amine - Oxacycle - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom. |
| External Descriptors | Not available |
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| Solubility | DMSO : 100 mg/mL (229.64 mM; Need ultrasonic) |
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