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Chemistry

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Also known as: Etc-206, 1464151-33-4, Mnd3wx2r7i, Aum001, Aum-001, Etc1907206

Molecular Formula

C₂₅H₂₀N₄O₂

Molecular Weight

408.5 g/mol

InChI Key

FWRFPHJSGLYXTD-UHFFFAOYSA-N

FDA UNII

MND3WX2R7I

MNK1/2 Inhibitor ETC-1907206 is a selective mitogen-activated protein kinase (MAPK)-interacting protein kinase (MNK) types 1/2 inhibitor with potential antineoplastic activity. Upon administration, MNK1/2 inhibitor ETC-1907206 may inhibit MNK1/2-dependent phosphorylation of eukaryotic initiation factor 4E (eIF4E) and interfere with its role in mRNA translation. eIF4E is an oncoprotein that must be phosphorylated before it can promote the proliferation and progression of tumor cells. MNKs are a family of serine/threonine kinases that have been implicated in oncogenic transformation and tumor progression.

1 2D Structure

AUM001

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile

2.1.2 InChI

InChI=1S/C25H20N4O2/c26-15-18-1-3-20(4-2-18)23-16-27-24-10-9-22(17-29(23)24)19-5-7-21(8-6-19)25(30)28-11-13-31-14-12-28/h1-10,16-17H,11-14H2

2.1.3 InChI Key

FWRFPHJSGLYXTD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1COCCN1C(=O)C2=CC=C(C=C2)C3=CN4C(=NC=C4C5=CC=C(C=C5)C#N)C=C3

2.2 Other Identifiers

2.2.1 UNII

MND3WX2R7I

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Etc-206

2. 1464151-33-4

3. Mnd3wx2r7i

4. Aum001

5. Aum-001

6. Etc1907206

7. 4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile

8. Benzonitrile, 4-(6-(4-(4-morpholinylcarbonyl)phenyl)imidazo(1,2-a)pyridin-3-yl)-

9. Unii-mnd3wx2r7i

10. Etc206

11. Chembl4211649

12. Schembl15288605

13. Us9908886, Example 96

14. Bdbm375544

15. Bcp30906

16. Ex-a4504

17. Mfcd31692387

18. S6658

19. Etc-206 (aum 001)

20. Hy-112424

21. Cs-0046041

22. Etc 206; Etc206;etc-1907206

2.4 Create Date

2013-11-04

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₂₀N₄O₂
Molecular Weight	408.5 g/mol
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	408.15862589 g/mol
Monoisotopic Mass	408.15862589 g/mol
Topological Polar Surface Area	70.6 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	668
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1