Interquim comes from an international group of 50 companies active in the pharma, hospital, diagnostics, fine chemicals & feed sectors.

Contact Supplier

Rusan Pharma: Over 30 years of specializing in the treatment of Addiction and Pain Management.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

DEVELOPMENTS

1 Drugs in Development

1 Drugs in Development

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

1DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: E6201, E-6201, Unii-czp9gb25ho, Czp9gb25ho, Er-806201, E 6201

Molecular Formula

C₂₁H₂₇NO₆

Molecular Weight

389.4 g/mol

InChI Key

MWUFVYLAWAXDHQ-HMNLTAHHSA-N

FDA UNII

CZP9GB25HO

MEK-1/MEKK-1 Inhibitor E6201 is a synthetic, fungal metabolite analogue inhibitor of mitogen-activated protein kinase kinase 1 (MEK-1) and mitogen-activated protein kinase kinase kinase 1 (MEKK-1) with potential antipsoriatic and antineoplastic activities. MEK-1/MEKK-1 inhibitor E6201 specifically binds to and inhibits the activities of MEK-1 and MEKK-1, which may result in the inhibition of tumor cell proliferation. MEK-1 and MEKK-1 are key components in the RAS/RAF/MEK/MAPK signaling pathway, which regulates cell proliferation and is frequently activated in human cancers.

1 2D Structure

E6201

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione

2.1.2 InChI

InChI=1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h5-6,8-13,16,20,22-23,25-26H,4,7H2,1-3H3/b6-5+,9-8-/t12-,13+,16+,20+/m1/s1

2.1.3 InChI Key

MWUFVYLAWAXDHQ-HMNLTAHHSA-N

2.1.4 Canonical SMILES

CCNC1=CC2=C(C(=C1)O)C(=O)OC(C(C=CC(=O)C(C(CC=C2)O)O)C)C

2.1.5 Isomeric SMILES

CCNC1=CC\2=C(C(=C1)O)C(=O)O[C@H]([C@@H](/C=C\C(=O)[C@H]([C@H](C/C=C2)O)O)C)C

2.2 Other Identifiers

2.2.1 UNII

CZP9GB25HO

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 14-(ethylamino)-8,9,16-trihydroxy-3,4-dimethyl-3,4,9,19-tetrahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione

2. E 6201

3. E-6201

4. E6201 Cpd

2.3.2 Depositor-Supplied Synonyms

1. E6201

2. E-6201

3. Unii-czp9gb25ho

4. Czp9gb25ho

5. Er-806201

6. E 6201

7. 603987-35-5

8. (3s,4r,5z,8s,9s,11e)-14-(ethylamino)-8,9,16-trihydroxy-3,4-dimethyl-3,4,9,10-tetrahydro-1h-benzo[c][1]oxacyclotetradecine-1,7(8h)-dione

9. (4~{s},5~{r},6~{z},9~{s},10~{s},12~{e})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione

10. Gtpl7836

11. Schembl6983345

12. Chembl1097999

13. Bdbm50515043

14. Zinc34374629

15. Db11687

16. (3s,4r,5z,8s,9s,11e)-14-(ethylamino)-8, 9,16-trihydroxy-3,4-dimethyl-3,4,9,19-tetrahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione

17. Hy-15496

18. Cs-0006796

19. J-504641

20. Q27077143

21. (4s,5r,6z,9s,10s,12e)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione

22. (4s,5r,6z,9s,10s,12e)-16-ethylamino-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione

23. 1108193-99-2

24. 1h-2-benzoxacyclotetradecin-1,7(8h)-dione, 14-(ethylamino)-3,4,9,10-tetrahydro-8,9,16-trihydroxy-3,4-dimethyl-, (3s,4r,5z,8s,9s,11e)-

25. 1h-2-benzoxacyclotetradecin-1,7(8h)-dione, 14-(ethylamino)-3,4,9,10-tetrahydro-8,9,16-trihydroxy-3,4-dimethyl-, (3s,4r,5z,8s,9s,11e) -

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₇NO₆
Molecular Weight	389.4 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	389.18383758 g/mol
Monoisotopic Mass	389.18383758 g/mol
Topological Polar Surface Area	116 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	604
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1