DLK-IN-1 - ≥98% , CAS No.1620574-24-4

CAS: 1620574-24-4 Cat. No.: D650308 Summenformel: C₂₀H₂₄F₃N₅O₂ Molekulargewicht: 423.43 PubChem CID: 90292823

QUALITÄT & REINHEIT ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

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)

Spezifikationen

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

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?

Isomere 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

Molekulargewicht

423.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyrazolylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

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EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

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INSR Tclin Insulin receptor (5558 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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HRH2 Tclin Histamine H2 receptor (5428 Activities)

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HTR1B Tclin Serotonin 1b (5-HT1b) receptor (2801 Activities)

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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HRH1 Tclin Histamine H1 receptor (7573 Activities)

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HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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HTR4 Tclin Serotonin 4 (5-HT4) receptor (2068 Activities)

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ERBB2 Tclin Receptor protein-tyrosine kinase erbB-2 (7851 Activities)

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CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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IGF1R Tclin Insulin-like growth factor I receptor (8605 Activities)

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KIT Tclin Stem cell growth factor receptor (10667 Activities)

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EDNRA Tclin Endothelin receptor ET-A (5008 Activities)

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TACR1 Tclin Neurokinin 1 receptor (6273 Activities)

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ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

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CSNK2A1 Tchem Casein kinase II alpha (3512 Activities)

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DAPK3 Tchem Death-associated protein kinase 3 (2108 Activities)

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PRKDC Tchem DNA-dependent protein kinase (1929 Activities)

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MAPK11 Tchem MAP kinase p38 beta (2785 Activities)

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LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)

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MAPK14 Tchem MAP kinase p38 alpha (12866 Activities)

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GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

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PRKCZ Tchem Protein kinase C zeta (2414 Activities)

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GABBR1 Tclin GABA-B receptor 1 (184 Activities)

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MAP2K6 Tchem Dual specificity mitogen-activated protein kinase kinase 6 (1284 Activities)

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MYLK Tchem Myosin light chain kinase, smooth muscle (1267 Activities)

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CSNK1G1 Tchem Casein kinase I gamma 1 (2496 Activities)

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FGFR1 Tclin Fibroblast growth factor receptor 1 (9149 Activities)

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STK3 Tchem Serine/threonine-protein kinase MST2 (3069 Activities)

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CSNK1D Tchem Casein kinase I delta (4546 Activities)

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CAMK2B Tchem CaM kinase II beta (1626 Activities)

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SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

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MAP2K3 Tchem Dual specificity mitogen-activated protein kinase kinase 3 (632 Activities)

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CHEK2 Tchem Serine/threonine-protein kinase Chk2 (4015 Activities)

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PIK3CA PI3-kinase p110-alpha subunit (51 Activities)

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Prkcd Protein kinase C delta (192 Activities)

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Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Prkcb Protein kinase C beta (2 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Fgfr4 Fibroblast growth factor receptor 4 (138 Activities)

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Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

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Tec Tyrosine-protein kinase TEC (25 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Cynomolgus monkey (4946 Activities)

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Adra1b Adrenergic receptor alpha-1 (5652 Activities)

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Adra2c Adrenergic receptor alpha-2 (3313 Activities)

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Gabrg2 GABA-A receptor; alpha-1/beta-2/gamma-2 (554 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 62.5 mg/mL (147.60 mM; Need ultrasonic)
• Molekulargewicht: 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