DCLK1-IN-1

DCLK1-IN-1, also known as OUN35154, is a selective, oral bioavailability in vivo-compatible chemical probe of the doublecortin like kinase 1 (DCLK1 kinase) domain. CLK1-IN-1 inhibits DCLK1 and DCLK2 kinases (IC50: DCLK1=9.5/57.2 nM and DCLK2=31/103 nM in binding and kinase assay, respectively). DCLK1-​IN-​1 will serve as a versatile tool to study DCLK1 biol. and establish its role in cancer.

Product information

CAS Number: 2222635-15-4

Molecular Weight: 527.54

Formula: C26H28F3N7O2

Synonym:

OUN-35154

OUN35154

OUN 35154

DCLK1-IN-1

DCLK1-IN 1

DCLK1-IN1

Chemical Name: 2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-11-methyl-5-(2,2,2-trifluoroethyl)-5,11-dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one

Smiles: CN1CCN(CC1)C1=CC(OC)=C(C=C1)NC1=NC2=C(C=N1)N(CC(F)(F)F)C(=O)C1=CC=CC=C1N2C

InChiKey: OQFCHSFVWSLDAO-UHFFFAOYSA-N

InChi: InChI=1S/C26H28F3N7O2/c1-33-10-12-35(13-11-33)17-8-9-19(22(14-17)38-3)31-25-30-15-21-23(32-25)34(2)20-7-5-4-6-18(20)24(37)36(21)16-26(27,28)29/h4-9,14-15H,10-13,16H2,1-3H3,(H,30,31,32)

Technical Data

Appearance: Solid Power.

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: Soluble in DMSO

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined.

HS Tariff Code: 382200

How to use

In Vitro:

DCLK1-IN-1 shows no significant activity against ERK5, ACK, and LRRK2. DCLK1-IN-1 potently binds DCLK1 in HCT116 cells (IC50 = 279 nM). DCLK1-IN-1 significantly inhibited DCLK1, and weakly inhibited ERK5, in PATU-8988T cell lysates and live cells.

In Vivo:

DCLK1-IN-1 has a favorable pharmacokinetic profile in mice, with a half-life of 2.09 hours, an area under the curve of 5, 506 h/ng ml and 81% oral bioavailability.

References:

1. Ferguson FM, Liu Y, Harshbarger W, Huang L, Wang J, Deng X, Capuzzi SJ, Muratov EN, Tropsha A, Muthuswamy S, Westover KD, Gray NS. Synthesis and structure activity relationships of DCLK1 kinase inhibitors based on a 5, 11-dihydro-6H-benzo[e]pyrimido[5, 4-b][1, 4]diazepin-6-one scaffold. J Med Chem. 2020 Jun 12. doi: 10.1021/acs.jmedchem.0c00596. Epub ahead of print. PMID: 32530623.

Products are for research use only. Not for human use.