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Foretinib-Based PROTAC 7

CAT: 1410-M13576-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M13576-02Size:5 mg
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Description
Foretinib-Based PROTAC 7 is a VHL-recruiting PROTAC that induces the degradation of c-Met in a dose- and time-dependent fashion in MDA-MB-231 cells.
CAS Number
2230821-68-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1106.253
Molecular Formula
C58H65F2N7O11S
Notes
Research use only, not for human use.
Receptor
PROTAC

Chemical Information

N'1-{3-fluoro-4-[(7-{3-[3-(2-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}ethoxy)propoxy]propoxy}-6-methoxyquinolin-4-yl)oxy]phenyl}-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CAS Number2230821-68-6
PubChem CID135175904
IUPAC Name1-N'-[3-fluoro-4-[7-[3-[3-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Molecular FormulaC58H65F2N7O11S
Molecular Weight1106.2
XLogP7.9
Topological Polar Surface Area257
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count26
Heavy Atom Count79
Formal Charge0
Complexity1990
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)CCOCCCOCCCOC4=CC5=NC=CC(=C5C=C4OC)OC6=C(C=C(C=C6)NC(=O)C7(CC7)C(=O)NC8=CC=C(C=C8)F)F)O
InChI
InChI=1S/C58H65F2N7O11S/c1-35-51(79-34-63-35)37-10-8-36(9-11-37)32-62-53(70)45-29-41(68)33-67(45)54(71)52(57(2,3)4)66-50(69)19-27-76-24-6-23-75-25-7-26-77-49-31-44-42(30-48(49)74-5)46(18-22-61-44)78-47-17-16-40(28-43(47)60)65-56(73)58(20-21-58)55(72)64-39-14-12-38(59)13-15-39/h8-18,22,28,30-31,34,41,45,52,68H,6-7,19-21,23-27,29,32-33H2,1-5H3,(H,62,70)(H,64,72)(H,65,73)(H,66,69)/t41-,45+,52-/m1/s1
InChIKey
SCUZPTNDZHEHLB-ZWUDBOSPSA-N
Chemical Structure
2D Structure
2D structure of N'1-{3-fluoro-4-[(7-{3-[3-(2-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}ethoxy)propoxy]propoxy}-6-methoxyquinolin-4-yl)oxy]phenyl}-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CAS: 2230821-68-6
CID: 135175904
Formula: C58H65F2N7O11S
MW: 1106.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1106.2
XLogP37.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count26
Exact Mass1105.44308341
Monoisotopic Mass1105.44308341
Topological Polar Surface Area257 Ų
Heavy Atom Count79
Formal Charge0
Complexity1990
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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