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DCLK1-IN-1

CAT: 0013-GTR19165556-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165556-01Size:2 mg
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Description
DCLK1-IN-1 is a potent and selective chemical probe for DCLK1/2 kinase inhibition, with IC50 values in the low nanomolar range. This in vivo-compatible tool compound enables the investigation of DCLK1 biology and its functional roles in cancer models, both in vitro and in vivo.
CAS Number
2222635-15-4
Product Name Alternative
Cancer, DCLK1IN1, DCLK-1-IN-1, DCLK1-IN-1, DCLK1 IN 1, PDAC, KRAS, inhibit, low, ERK, Inhibitor, toxicity, signaling, selective
Field of Research
Signal Transduction
Purity
98.21% (May vary between batches)
Solubility
2% DMSO+40% PEG300+5% Tween 80+53% Saline:1 mg/mL (1.9 mM) ; DMSO:11.9 mg/mL (22.56 mM)
Smiles
COc1cc (ccc1Nc1ncc2N (CC (F) (F) F) C (=O) c3ccccc3N (C) c2n1) N1CCN (C) CC1
Molecular Formula
C26H28F3N7O2
Molecular Weight
527.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dclk1-IN-1
CAS Number2222635-15-4
PubChem CID134457640
IUPAC Name2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-11-methyl-5-(2,2,2-trifluoroethyl)pyrimido[4,5-b][1,4]benzodiazepin-6-one
Molecular FormulaC26H28F3N7O2
Molecular Weight527.5
XLogP4.2
Topological Polar Surface Area77.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count38
Formal Charge0
Complexity812
SMILES
CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4CC(F)(F)F)C)OC
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)
InChIKey
OQFCHSFVWSLDAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dclk1-IN-1
CAS: 2222635-15-4
CID: 134457640
Formula: C26H28F3N7O2
MW: 527.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass527.22565765
Monoisotopic Mass527.22565765
Topological Polar Surface Area77.1 Ų
Heavy Atom Count38
Formal Charge0
Complexity812
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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