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DTAG-13

CAT: 0957-S9813-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S9813-02Size:25 mg
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Description
DTAG-13 (FKBP12 PROTAC dTAG-13) is an ortho-substituted, heterobifunctional selective degrader of FKBP12F36V that effectively engage FKBP12F36V and CRBN leading to rapid and selective CRBN-mediated degradation of FKBP12F36V.It can useful for target validation in the context of drug discovery.
CAS Number
2064175-41-1
Synonyms
FKBP12 PROTAC dTAG-13
Target
FKBP
Activity
Apoptosis
Molecular Formula
C57H68N4O15

Chemical Information

FKBP12 PROTAC dTAG-13

DTAG-13 is fKBP12 PROTAC dTAG-13 (dTAG-13), a PROTAC-based heterobifunctional degrader, is a selective degrader of FKBP12F36V with expression of FKBP12F36V in-frame with a protein of interest. FKBP12 PROTAC dTAG-13 effectively engages FKBP12F36V and CRBN, thereby selectively degrading FKBP12F36V.

CAS Number2064175-41-1
PubChem CID124187630
IUPAC Name[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyhexylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
Molecular FormulaC57H68N4O15
Molecular Weight1049.2
XLogP7.4
Topological Polar Surface Area224
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count27
Heavy Atom Count76
Formal Charge0
Complexity1930
SMILES
CC[C@@H](C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4OCC(=O)NCCCCCCOC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O
InChI
InChI=1S/C57H68N4O15/c1-7-37(36-32-47(71-4)52(73-6)48(33-36)72-5)54(65)60-29-14-12-19-41(60)57(68)76-43(25-22-35-23-26-44(69-2)46(31-35)70-3)38-17-10-11-20-42(38)75-34-50(63)58-28-13-8-9-15-30-74-45-21-16-18-39-51(45)56(67)61(55(39)66)40-24-27-49(62)59-53(40)64/h10-11,16-18,20-21,23,26,31-33,37,40-41,43H,7-9,12-15,19,22,24-25,27-30,34H2,1-6H3,(H,58,63)(H,59,62,64)/t37-,40?,41-,43+/m0/s1
InChIKey
BJFBRLAWLPZOMJ-QHVFGHLPSA-N
Chemical Structure
2D Structure
2D structure of FKBP12 PROTAC dTAG-13
CAS: 2064175-41-1
CID: 124187630
Formula: C57H68N4O15
MW: 1049.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1049.2
XLogP37.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count27
Exact Mass1048.46811747
Monoisotopic Mass1048.46811747
Topological Polar Surface Area224 Ų
Heavy Atom Count76
Formal Charge0
Complexity1930
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A23908-5FKBP12 PROTAC dTAG-13 5mg
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