ChemicalBook--->CAS DataBase List--->1285702-20-6

1285702-20-6

1285702-20-6 Structure

1285702-20-6 Structure
IdentificationBack Directory
[Name]

ML167
[CAS]

1285702-20-6
[Synonyms]

ML167
CS-1892
NCGC00188654
ML167/ML-167
CID 44968231
ML167 USP/EP/BP
ML167 >=98% (HPLC)
CID44968231;NCGC00188654
ML167; ML-167; ML 167; CID 44968231
5-[4-[[(5-Methyl-2-furanyl)methyl]amino]-6-quinazolinyl]-2-furanmethanol
(5-(4-(((5-Methylfuran-2-yl)methyl)amino)quinazolin-6-yl)furan-2-yl)methanol
5-[4-[[(5-Methyl-2-furanyl)methyl]amino]-6-quinazolinyl]-2-furanmethanol ML167
[EINECS(EC#)]

808-432-9
[Molecular Formula]

C19H17N3O3
[MDL Number]

MFCD27978379
[MOL File]

1285702-20-6.mol
[Molecular Weight]

335.36
Chemical PropertiesBack Directory
[Boiling point ]

531.8±45.0 °C(Predicted)
[density ]

1.335±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

DMSO: soluble10mg/mL, clear
[form ]

powder
[pka]

13.84±0.10(Predicted)
[color ]

off-white to gray to brown
[Stability:]

Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 3 months.
[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)
[InChIKey]

ROCFOIBAEVAOLQ-UHFFFAOYSA-N
[SMILES]

N(Cc4[o]c(cc4)C)c1ncnc2c1cc(cc2)c3[o]c(cc3)CO
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[Safety Statements ]

46
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Description]

ML167 (1285702-20-6) is a highly selective cell permeable inhibitor of Cdc2-like kinase 4 (Clk4) – IC50?= 136nM. It displays at least 10-fold greater selectivity over the related kinases Clk1(1.52 μM), Clk2(1.65μM), Clk3(>10μM), Dyrk1A(>10μM), and Dyrk1B(4.4 μM).
[Uses]

ML167 is a highly selective Cdc2-like kinase 4 (Clk4) inhibitor with IC50 of 136 nM, >10-fold selectivity for closely related kinases Clk1, Clk2, Clk3 and Dyrk1A/1B[1].
[Definition]

ChEBI: [5-[4-[(5-methyl-2-furanyl)methylamino]-6-quinazolinyl]-2-furanyl]methanol is a member of quinazolines.
[target]

Clk4
[IC 50]

CLK4: 136 nM (IC50); CLK1: 1522 nM (IC50); CLK2: 1648 nM (IC50); DYRK1B: 4420 nM (IC50); CDK3: >10000 nM (IC50); DYRK1A: >10000 nM (IC50)
[References]

1) Rosenthal?et al. (2010),?An inhibitor of the Cdc2-like kinase 4 (Clk4); Probe Reports from the NIH Molecular Libraries Program
Spectrum DetailBack Directory
[Spectrum Detail]

ML167(1285702-20-6)1HNMR
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