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YF135

CAT: 0013-GTR19221319-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221319-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
YF135 is a reversible-covalent KRAS G12C PROTAC that degrades the oncogenic protein via VHL E3 ligase recruitment and proteasomal destruction, leading to reduced phospho-ERK signaling. This bifunctional molecule, derived from MRTX849 and a VHL ligand, is a valuable chemical tool for investigating KRAS-driven cancers in both cellular and animal models.
CAS Number
2913177-53-2
Field of Research
Cell Biology, Pharmacology & Drug Discovery, Signal Transduction
Smiles
Cc1ncsc1-c1ccc (CNC (=O) [C@@H]2C[C@@H] (O) CN2C (=O) [C@@H] (NC (=O) CCOCCCN2CCC[C@H]2COc2nc3CN (CCc3c (n2) N2CCN ([C@@H] (CC#N) C2) C (=O) C (=C\C2CC2) \C#N) c2cccc3cccc (Cl) c23) C (C) (C) C) cc1
Molecular Formula
C63H75ClN12O7S
Molecular Weight
1179.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 163322223
CAS Number2913177-53-2
PubChem CID163322223
IUPAC Name(2S,4R)-1-[(2S)-2-[3-[3-[(2S)-2-[[7-(8-chloronaphthalen-1-yl)-4-[(3S)-4-[(E)-2-cyano-3-cyclopropylprop-2-enoyl]-3-(cyanomethyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]propoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC63H75ClN12O7S
Molecular Weight1179.9
XLogP7.7
Topological Polar Surface Area262
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count22
Heavy Atom Count84
Formal Charge0
Complexity2390
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCOCCCN4CCC[C@H]4COC5=NC6=C(CCN(C6)C7=CC=CC8=C7C(=CC=C8)Cl)C(=N5)N9CCN([C@H](C9)CC#N)C(=O)/C(=C/C1CC1)/C#N)O
InChI
InChI=1S/C63H75ClN12O7S/c1-40-56(84-39-68-40)44-18-16-42(17-19-44)34-67-59(79)53-32-48(77)36-76(53)61(81)57(63(2,3)4)70-54(78)22-30-82-29-8-25-72-24-7-11-47(72)38-83-62-69-51-37-73(52-13-6-10-43-9-5-12-50(64)55(43)52)26-21-49(51)58(71-62)74-27-28-75(46(35-74)20-23-65)60(80)45(33-66)31-41-14-15-41/h5-6,9-10,12-13,16-19,31,39,41,46-48,53,57,77H,7-8,11,14-15,20-22,24-30,32,34-38H2,1-4H3,(H,67,79)(H,70,78)/b45-31+/t46-,47-,48+,53-,57+/m0/s1
InChIKey
VJEBOMJUVXOGQI-ZAONMBGGSA-N
Chemical Structure
2D Structure
2D structure of CID 163322223
CAS: 2913177-53-2
CID: 163322223
Formula: C63H75ClN12O7S
MW: 1179.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1179.9
XLogP37.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count22
Exact Mass1178.5290916
Monoisotopic Mass1178.5290916
Topological Polar Surface Area262 Ų
Heavy Atom Count84
Formal Charge0
Complexity2390
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-144323YF135

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