Products for Research Use Only
RegisterLogin

DFKBP-1

CAT: 0013-GTR19225052-02Size: 500 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19225052-02Size:500 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
DFKBP-1 is a potent PROTAC degrader of FKBP12, constructed by conjugating the SLF ligand for FKBP12 to a thalidomide-based cereblon ligand via a linker. This bifunctional molecule enables targeted protein degradation and is a valuable chemical tool for studying FKBP12 biology in both cellular and in vivo research contexts.
CAS Number
1799711-22-0
Field of Research
Cell Biology, Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
O=C1C=2C (C (=O) N1C3C (=O) NC (=O) CC3) =CC=CC2OCC (NCCCCNC (CCC (NC4=CC ([C@H] (OC (=O) [C@H]5N (C (C (C (CC) (C) C) =O) =O) CCCC5) CCC6=CC (OC) =C (OC) C=C6) =CC=C4) =O) =O) =O
Molecular Formula
C53H64N6O14
Molecular Weight
1009.11
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1R)-3-(3,4-Dimethoxyphenyl)-1-(3-((4-((4-((2-((2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl)oxy)acetyl)amino)butyl)amino)-1,4-dioxobutyl)amino)phenyl)propyl (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylate
CAS Number1799711-22-0
PubChem CID121427836
IUPAC Name[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butylamino]-4-oxobutanoyl]amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
Molecular FormulaC53H64N6O14
Molecular Weight1009.1
XLogP4.2
Topological Polar Surface Area262
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count25
Heavy Atom Count73
Formal Charge0
Complexity2010
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)NC(=O)CCC(=O)NCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O
InChI
InChI=1S/C53H64N6O14/c1-6-53(2,3)47(64)51(68)58-28-10-7-16-37(58)52(69)73-38(21-18-32-19-22-39(70-4)41(29-32)71-5)33-13-11-14-34(30-33)56-43(61)25-24-42(60)54-26-8-9-27-55-45(63)31-72-40-17-12-15-35-46(40)50(67)59(49(35)66)36-20-23-44(62)57-48(36)65/h11-15,17,19,22,29-30,36-38H,6-10,16,18,20-21,23-28,31H2,1-5H3,(H,54,60)(H,55,63)(H,56,61)(H,57,62,65)/t36?,37-,38+/m0/s1
InChIKey
RIBCWKRMNKOGRN-GGJINPDOSA-N
Chemical Structure
2D Structure
2D structure of (1R)-3-(3,4-Dimethoxyphenyl)-1-(3-((4-((4-((2-((2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl)oxy)acetyl)amino)butyl)amino)-1,4-dioxobutyl)amino)phenyl)propyl (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylate
CAS: 1799711-22-0
CID: 121427836
Formula: C53H64N6O14
MW: 1009.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1009.1
XLogP34.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count25
Exact Mass1008.44805074
Monoisotopic Mass1008.44805074
Topological Polar Surface Area262 Ų
Heavy Atom Count73
Formal Charge0
Complexity2010
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

Related Products

CatalogName
GTR19169514-011,1,1,1-Kestohexaose
GTR19217879-01AMPK-α1β1γ1 activator 1
GTR191890321,1,1-Tribromoacetone
GTR191901241-Bromo-1,1-dichloroacetone
GTR19218855-01TWIK-1/TREK-1-IN-1
GTR191902241,1,1,3-Tetrachloroacetone
GTR19221683-011,1′,1′′,1′′′-[1,4-Piperazinediylbis (2,1-ethanediylnitrilo) ]tetrakis[2-dodecanol]
GTR19264158-01C22:1 1-Deoxyceramide (m18:1/22:1)
GTR19276756-013-Aminobicyclo[1.1.1]pentane-1-carbonitrile
GTR19187162-01TGFβ1-IN-1

Alternative Products

CatalogName
ZWC71122-01DFKBP-1
A23955-1DFKBP-1 1mg
A23955-5DFKBP-1 5mg
A23955-50DFKBP-1 50mg
A23955-10DFKBP-1 10mg
OF59775-011,1,1,1,1-Kestoheptaose
N2864-5.11,1,1,1-Kestohexaose
1120401,1,1,1-Kestohexose
410417-011,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride

Popular Products