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NST-628

CAT: 1410-M37591-01Size: 1 EachDry Ice: NoHazardous: No
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Description
NST-628 is a pan-RAF-MEK molecular glue that prevents RAF from phosphorylating and activating MEK, inhibiting the RAF-MEK signaling complex.
CAS Number
3002056-30-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
488.46
Molecular Formula
C22H18F2N4O5S
Notes
Research use only, not for human use.
Receptor
Raf | MEK

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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