ML167 | CAS#1285702-20-6 | CLK4 inhibitor

MedKoo Cat#: 406566 | Name: ML167

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Description:

WARNING: This product is for research use only, not for human or veterinary use.

ML167 is the first highly selective inhibitor of of Cdc2-like kinase 4 (Clk4) with an IC50 of 136 nM for Clk4. The Cdc2-like kinases (ClkÂ’s) and the dual-specificity tyrosine phosphorylation-regulated kinases (DyrkÂ’s) have specified roles in gene splicing. Specifically, the Clk class of enzymes has been shown to phosphorylate the serine- and arginine-rich (SR) proteins, which are a major component of the spliceosome.

Chemical Structure

ML167

CAS#1285702-20-6

Theoretical Analysis

MedKoo Cat#: 406566

Name: ML167

CAS#: 1285702-20-6

Chemical Formula: C19H17N3O3

Exact Mass: 335.1270

Molecular Weight: 335.36

Elemental Analysis: C, 68.05; H, 5.11; N, 12.53; O, 14.31

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 275.00	2 Weeks
10mg	USD 500.00	2 Weeks

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Related CAS #

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Synonym

ML167; ML-167; ML 167; CID 44968231; CID44968231; CID-44968231; NCGC00188654; NCGC-00188654; NCGC 00188654

IUPAC/Chemical Name

(5-(4-(((5-methylfuran-2-yl)methyl)amino)quinazolin-6-yl)furan-2-yl)methanol

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)

SMILES Code

OCC1=CC=C(C2=CC3=C(NCC4=CC=C(C)O4)N=CN=C3C=C2)O1

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO, not in water

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Product Data

Product Data

Instruction

View handling instruction

Biological target:

ML167 is a highly selective Cdc2-like kinase 4 (Clk4) inhibitor with IC50 of 136 nM.

In vitro activity:

Pharmacophore models were validated using decoy dataset, Receiver operating characteristic plot, and external dataset compounds. The robust, bioactive 3D e-pharmacophore models were then used for VS of four different small compound databases: FDA approved, investigational, anticancer, and bioactive compounds collections of Selleck Chemicals. This study obtained ML167 as the second best hit on VS from bioactive database showing high binding energy and pharmacophore fit value with respect to EGFR receptor and its mutants. Reference: Chem Biol Drug Des. 2017 Oct;90(4):629-636. https://pubmed.ncbi.nlm.nih.gov/28303669/

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	DMF	30.0	89.46
	DMSO	37.9	112.98
	DMSO:PBS (pH 7.2) (1:2)	0.3	0.75
	Ethanol	0.3	0.75

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 335.36 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:

Panicker PS, Melge AR, Biswas L, Keechilat P, Mohan CG. Epidermal growth factor receptor (EGFR) structure-based bioactive pharmacophore models for identifying next-generation inhibitors against clinically relevant EGFR mutations. Chem Biol Drug Des. 2017 Oct;90(4):629-636. doi: 10.1111/cbdd.12977. Epub 2017 May 3. PMID: 28303669.

In vitro protocol:

In vivo protocol:

TBD

1: Rosenthal AS, Tanega C, Shen M, Mott BT, Bougie JM, Nguyen DT, Misteli T, Auld DS, Maloney DJ, Thomas CJ. An inhibitor of the Cdc2-like kinase 4 (Clk4). 2010 Mar 29 [updated 2011 Mar 3]. Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010-. Available from http://www.ncbi.nlm.nih.gov/books/NBK56236/ PubMed PMID: 21735605.