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NST-628

CAT: 0013-GTR19234867-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234867-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NST-628 is a pan-RAF molecular glue that stabilizes the RAF-MEK complex to block MEK phosphorylation and activation. This inhibitor is a valuable research tool for studying MAPK/ERK pathway dysregulation in cancer, applicable in both cellular and animal model studies.
CAS Number
3002056-30-3
Product Name Alternative
NST 628, NST628, MEK, Raf
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Purity
98.62% (May vary between batches)
Solubility
DMSO:80 mg/mL (163.78 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (6.76 mM)
Smiles
O=C1OC=2C=C (OC3=NC=CC=C3F) C=CC2C (=C1CC=4C=CN=C (NS (=O) (=O) NC) C4F) C
Molecular Formula
C22H18F2N4O5S
Molecular Weight
488.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[[3-Fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-7-[(3-fluoro-2-pyridinyl)oxy]-4-methylchromen-2-one
CAS Number3002056-30-3
PubChem CID169262739
IUPAC Name3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-7-[(3-fluoro-2-pyridinyl)oxy]-4-methylchromen-2-one
Molecular FormulaC22H18F2N4O5S
Molecular Weight488.5
XLogP2.7
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity883
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)OC3=C(C=CC=N3)F)CC4=C(C(=NC=C4)NS(=O)(=O)NC)F
InChI
InChI=1S/C22H18F2N4O5S/c1-12-15-6-5-14(32-21-17(23)4-3-8-27-21)11-18(15)33-22(29)16(12)10-13-7-9-26-20(19(13)24)28-34(30,31)25-2/h3-9,11,25H,10H2,1-2H3,(H,26,28)
InChIKey
YQSZJOABXRROQR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[[3-Fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-7-[(3-fluoro-2-pyridinyl)oxy]-4-methylchromen-2-one
CAS: 3002056-30-3
CID: 169262739
Formula: C22H18F2N4O5S
MW: 488.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.5
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass488.09659719
Monoisotopic Mass488.09659719
Topological Polar Surface Area128 Ų
Heavy Atom Count34
Formal Charge0
Complexity883
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS5780198-01BPH-628

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