Avutometinib Potassium

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H17FN5O5S.K
Molecular Weight	509.552
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[K+].CNS(=O)(=O)[N-]C1=NC=CC(CC2=C(C)C3=CC=C(OC4=NC=CC=N4)C=C3OC2=O)=C1F

InChI

InChIKey=KYKJFDDJHVJFIF-UHFFFAOYSA-N

InChI=1S/C21H17FN5O5S.K/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2;/h3-9,11,23H,10H2,1-2H3;/q-1;+1

HIDE SMILES / InChI

Molecular Formula	K
Molecular Weight	39.0983
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C21H18FN5O5S
Molecular Weight	471.462
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Potency
Dual specificity mitogen-activated protein kinase kinase 1 20 Target ID: CHEMBL3587 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23667175	Inhibitor 8297	0.16 µM [IC50]
Serine/threonine-protein kinase RAF 10 Target ID: CHEMBL1906 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23667175	Inhibitor 8297	0.056 µM [IC50]
Serine/threonine-protein kinase B-raf 20 Target ID: CHEMBL5145 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23667175	Inhibitor 8297	0.019 µM [IC50]

PubMed

Title	Date	PubMed
MEK and the inhibitors: from bench to bedside.	2013 Apr 12	23587417

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:21:34 GMT 2023` Edited by `admin` on `Fri Dec 15 16:21:34 GMT 2023`
Record UNII	223UH3FM7T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Avutometinib Potassium

Official Name

English

CH5126766-002

Code

English

3-[[2-[(Methylaminosulfonyl)amino]-3-fluoropyridin-4-yl]methyl]-4-methyl-7-[(pyrimidin-2-yl)oxy]-2-oxo-2H-1-benzopyran potassium salt

Systematic Name

English

AVUTOMETINIB POTASSIUM [USAN]

Common Name

English

VS-6766 POTASSIUM

Code

English

POTASSIUM (3-FLUORO-4-((4-METHYL-2-OXO-7-(PYRIMIDIN-2-YLOXY)-2H-CHROMEN-3-YL)METHYL)PYRIDIN-2-YL)((METHYLAMINO)SULFONYL)AZANIDE

Systematic Name

English

RO5126766 POTASSIUM

Code

English

RO-5126766 POTASSIUM

Code

English

Sulfamide, N-[3-fluoro-4-[[4-methyl-2-oxo-7-(2-pyrimidinyloxy)-2H-1-benzopyran-3-yl]methyl]-2-pyridinyl]-N′-methyl-, potassium salt (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

223UH3FM7T