ML167 (CID 44968231)

Alias: CID 44968231; NCGC00188654; ML167; CID44968231; NCGC 00188654; ML-167; CID-44968231; NCGC-00188654; ML 167
Cat No.:V1545 Purity: ≥98%
ML167 (also called CID-44968231; NCGC-00188654; ML-167; CID 44968231; NCGC00188654) is a novel, ATP-competitive and highly selective Cdc2-like kinase 4 (Clk4) inhibitor with potential anticancer activity.
ML167 (CID 44968231) Chemical Structure CAS No.: 1285702-20-6
Product category: CDK
This product is for research use only, not for human use. We do not sell to patients.
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Purity & Quality Control Documentation

Purity: ≥98%

Product Description

ML167 (also called CID-44968231; NCGC-00188654; ML-167; CID 44968231; NCGC00188654) is a novel, ATP-competitive and highly selective Cdc2-like kinase 4 (Clk4) inhibitor with potential anticancer activity. It exhibits >10-fold selectivity for closely related kinases like Clk1-3 and Dyrk1A/1B, and inhibits Clk4 with an IC50 of 136 nM.

Biological Activity I Assay Protocols (From Reference)
Targets
CLK4 (IC50 = 136 nM); CLK1 (IC50 = 1522 nM); CLK2 (IC50 = 1648 nM); DYRK1B (IC50 = 4420 nM); CDK3 (IC50 >10000 nM); DYRK1A (IC50 >10000 nM)
ln Vitro

ML167 exhibits cell permeability in Caco-2 cells. A furan ring found in ML167 is susceptible to in vivo metabolism.

ln Vivo

Enzyme Assay
Every compound was screened through the use of the qHTS approach, which generates concentration-response curves for each compound by assaying it at least seven times. The process for establishing a concentration-titration series between subsequent library plate copies in order to conduct large-scale titration-based screening has been explained. In summary, the inter-plate dilution method used in qHTS involves the highest concentration of a set of compounds in DMSO on the first plate, with the same compounds in the same well locations but at successively lower concentrations on subsequent plates. With the help of the above-described protocol, we were able to calculate the plate throughput on the Kalypsys robotic system to be 18 plates/hr, or roughly 7 samples/sec. This implies that a 7 point CRC was obtained on the robotic system once every second.
Animal Protocol


References

[1]. An inhibitor of the Cdc2-like kinase 4 (Clk4).

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C19H17N3O3
Molecular Weight
335.36
Exact Mass
335.13
Elemental Analysis
C, 68.05; H, 5.11; N, 12.53; O, 14.31
CAS #
1285702-20-6
Appearance
Solid powder
SMILES
CC1=CC=C(O1)CNC2=NC=NC3=C2C=C(C=C3)C4=CC=C(O4)CO
InChi Key
ROCFOIBAEVAOLQ-UHFFFAOYSA-N
InChi Code
InChI=1S/C19H17N3O3/c1-12-2-4-14(24-12)9-20-19-16-8-13(3-6-17(16)21-11-22-19)18-7-5-15(10-23)25-18/h2-8,11,23H,9-10H2,1H3,(H,20,21,22)
Chemical Name
[5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol
Synonyms
CID 44968231; NCGC00188654; ML167; CID44968231; NCGC 00188654; ML-167; CID-44968231; NCGC-00188654; ML 167
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO: ~67 mg/mL (~199.8 mM)
Water: <1 mg/mL
Ethanol: ~13 mg/mL (~38.8 mM)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.9819 mL 14.9094 mL 29.8187 mL
5 mM 0.5964 mL 2.9819 mL 5.9637 mL
10 mM 0.2982 mL 1.4909 mL 2.9819 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

Biological Data
  • ML167

    LCMS traces of NCGC00188654/CID 44968231/ML167in PBS buffer, pH 7.4 at 23°C at 0 hours and 48 hours.

  • ML167

    Structure of NCGC00188654/CID 44968231/ML167and dose response curve for in-house Clk4 assay.An inhibitor of the Cdc2-like kinase 4 (Clk4).

  • ML167

    A. Inhibitory dose response of2in the presence of three different ATP concentrations [1μM (filled circles), 50μM (empty circles), 100μM (empty squares)]. B. Inhibitory dose response of2in the presence of three different peptide.An inhibitor of the Cdc2-like kinase 4 (Clk4).

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