≥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.
DLK-IN-1 is a selective, orally active inhibitor of dual leucine zipper kinase (DLK, MAP3K12) , with a K i of 3 nM. DLK-IN-1 retains excellent CNS penetration and is well tolerated following multiple days of dosing at concentrations that exceed those required for DLK inhibition in the brain. DLK-IN-1 has activity in a model of Alzheimer’s Disease.
Form:Solid
IC50& Target:Ki: 3 nM (DLK)
| Canonical Smiles | CC(C)N1C(=CC(=N1)C2=CC(=C(N=C2)N)OC(F)(F)F)C3C4C3CN(C4)C5COC5 |
|---|---|
| IUPAC Name | 5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine |
| InChIKey | UHEFRVBGJORHNV-UUVAVEHKSA-N |
| INCHI | 1S/C20H24F3N5O2/c1-10(2)28-16(18-13-6-27(7-14(13)18)12-8-29-9-12)4-15(26-28)11-3-17(19(24)25-5-11)30-20(21,22)23/h3-5,10,12-14,18H,6-9H2,1-2H3,(H2,24,25)/t13-,14+,18? |
| Isomeric SMILES | CC(C)N1C(=CC(=N1)C2=CC(=C(N=C2)N)OC(F)(F)F)C3[C@H]4[C@@H]3CN(C4)C5COC5 |
| PubChem CID | 90292823 |
| Molecular Weight | 423.43 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Pyrazolylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolylpyridines |
| Alternative Parents | Aminopyridines and derivatives Aralkylamines Imidolactams N-alkylpyrrolidines Piperidines Heteroaromatic compounds Pyrazoles Oxetanes Trihalomethanes Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organofluorides Alkyl fluorides Hydrocarbon derivatives Primary amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-pyrazolylpyridine - Aminopyridine - Aralkylamine - Piperidine - N-alkylpyrrolidine - Imidolactam - Azole - Pyrazole - Pyrrolidine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Trihalomethane - Oxetane - Oxacycle - Azacycle - Dialkyl ether - Ether - Halomethane - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond. |
| External Descriptors | Not available |
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| Solubility | DMSO : 62.5 mg/mL (147.60 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 423.400 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 423.188 Da |
| Monoisotopic Mass | 423.188 Da |
| Topological Polar Surface Area | 78.400 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 622.000 |
| 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 |
