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PROTAC MEK1 Degrader-1

CAT: 0013-GTR19230681-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230681-01Size:25 mg
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Description
PROTAC MEK1 Degrader-1 is a bifunctional molecule that recruits MEK1 to the VHL E3 ligase for targeted degradation, thereby inhibiting ERK1/2 phosphorylation. With a pIC50 of 7.0, it demonstrates antiproliferative effects in A375 melanoma cells in vitro, supporting its use in oncology and targeted protein degradation research.
CAS Number
2671004-41-2
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Smiles
N (C1=C (NS (=O) (=O) C2=CC=C (CCC (NCCOCCOCCOCC (N[C@H] (C (=O) N3[C@H] (C (N[C@@H] (C) C4=CC=C (C=C4) C=5SC=NC5C) =O) C[C@@H] (O) C3) C (C) (C) C) =O) =O) C=C2) C=C (C) C (=O) N1C) C6=C (F) C=C (I) C=C6
Molecular Formula
C53H66FIN8O11S2
Molecular Weight
1201.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PROTAC MEK1 Degrader-1
CAS Number2671004-41-2
PubChem CID145996530
IUPAC Name(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[3-[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]sulfamoyl]phenyl]propanoylamino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
Molecular FormulaC53H66FIN8O11S2
Molecular Weight1201.2
XLogP5.1
Topological Polar Surface Area284
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count26
Heavy Atom Count76
Formal Charge0
Complexity2150
SMILES
CC1=CC(=C(N(C1=O)C)NC2=C(C=C(C=C2)I)F)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@H](C)C5=CC=C(C=C5)C6=C(N=CS6)C)O)C(C)(C)C
InChI
InChI=1S/C53H66FIN8O11S2/c1-32-26-43(49(62(7)51(32)68)59-42-18-15-38(55)27-41(42)54)61-76(70,71)40-16-8-35(9-17-40)10-19-45(65)56-20-21-72-22-23-73-24-25-74-30-46(66)60-48(53(4,5)6)52(69)63-29-39(64)28-44(63)50(67)58-33(2)36-11-13-37(14-12-36)47-34(3)57-31-75-47/h8-9,11-18,26-27,31,33,39,44,48,59,61,64H,10,19-25,28-30H2,1-7H3,(H,56,65)(H,58,67)(H,60,66)/t33-,39+,44-,48+/m0/s1
InChIKey
RQBUNBWHIATPNI-WQWWALRQSA-N
Chemical Structure
2D Structure
2D structure of PROTAC MEK1 Degrader-1
CAS: 2671004-41-2
CID: 145996530
Formula: C53H66FIN8O11S2
MW: 1201.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1201.2
XLogP35.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count26
Exact Mass1200.33212
Monoisotopic Mass1200.33212
Topological Polar Surface Area284 Ų
Heavy Atom Count76
Formal Charge0
Complexity2150
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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