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10-SLF

CAT: 0013-GTR19249170-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249170-01Size:10 mg
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Description
10-SLF is a PROTAC molecule that induces targeted degradation of FKBP12 by recruiting the mutant E3 ligase FBXW7-R465C. This tool compound enables the study of FKBP12 biology and targeted protein degradation in FBXW7-R465C-expressing cellular models.
CAS Number
2765058-89-5
Field of Research
Cell Biology, Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
C (N (CCCOCCOCCOCCCNC (COC1=CC ([C@H] (OC (=O) [C@H]2N (C (C (C (CC) (C) C) =O) =O) CCCC2) CCC3=CC (OC) =C (OC) C=C3) =CC=C1) =O) C (CCl) =O) (C (NCC4=CC=CC=C4) =O) C5=CC=C (Cl) C=C5
Molecular Formula
C59H76Cl2N4O13
Molecular Weight
1120.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[(1R)-1-[3-[2-[3-[2-[2-[3-[[2-(benzylamino)-1-(4-chlorophenyl)-2-oxoethyl]-(2-chloroacetyl)amino]propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]phenyl]-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CAS Number2765058-89-5
PubChem CID168321880
IUPAC Name[(1R)-1-[3-[2-[3-[2-[2-[3-[[2-(benzylamino)-1-(4-chlorophenyl)-2-oxoethyl]-(2-chloroacetyl)amino]propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]phenyl]-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
Molecular FormulaC59H76Cl2N4O13
Molecular Weight1120.2
XLogP8.8
Topological Polar Surface Area198
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count35
Heavy Atom Count78
Formal Charge0
Complexity1800
SMILES
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)OCC(=O)NCCCOCCOCCOCCCN(C(C4=CC=C(C=C4)Cl)C(=O)NCC5=CC=CC=C5)C(=O)CCl
InChI
InChI=1S/C59H76Cl2N4O13/c1-6-59(2,3)55(68)57(70)64-29-11-10-19-48(64)58(71)78-49(26-20-42-21-27-50(72-4)51(37-42)73-5)45-17-12-18-47(38-45)77-41-52(66)62-28-13-31-74-33-35-76-36-34-75-32-14-30-65(53(67)39-60)54(44-22-24-46(61)25-23-44)56(69)63-40-43-15-8-7-9-16-43/h7-9,12,15-18,21-25,27,37-38,48-49,54H,6,10-11,13-14,19-20,26,28-36,39-41H2,1-5H3,(H,62,66)(H,63,69)/t48-,49+,54?/m0/s1
InChIKey
XVRCAVJOLKVISC-MABACLQESA-N
Chemical Structure
2D Structure
2D structure of [(1R)-1-[3-[2-[3-[2-[2-[3-[[2-(benzylamino)-1-(4-chlorophenyl)-2-oxoethyl]-(2-chloroacetyl)amino]propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]phenyl]-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CAS: 2765058-89-5
CID: 168321880
Formula: C59H76Cl2N4O13
MW: 1120.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1120.2
XLogP38.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count35
Exact Mass1118.4785939
Monoisotopic Mass1118.4785939
Topological Polar Surface Area198 Ų
Heavy Atom Count78
Formal Charge0
Complexity1800
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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