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JP-2-196

CAT: 0013-GTR19258113-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258113-02Size:50 mg
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Description
JP-2-196 functions as a molecular glue handle, engaging with E3 ubiquitin ligases such as RNF126, LRSAM1, RNF40, MID2, RNF219, and RNF14 in an immunoprecipitation (IP) assay at a concentration of 10 μM. Additionally, JP-2-196 is utilized in the creation of diverse molecular glue degraders.
CAS Number
2913587-31-0
Field of Research
Cell Biology
Smiles
O=C (C=CC (=O) N1CCNCC1) C2=CC=C (OC) C=C2.O=C (O) C (F) (F) F
Molecular Formula
C17H19F3N2O5
Molecular Weight
388.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(E)-JP-2-196 Tfa
CAS Number2913587-31-0
PubChem CID167720027
IUPAC Name(E)-1-(4-methoxyphenyl)-4-piperazin-1-ylbut-2-ene-1,4-dione;2,2,2-trifluoroacetic acid
Molecular FormulaC17H19F3N2O5
Molecular Weight388.34
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity451
SMILES
COC1=CC=C(C=C1)C(=O)/C=C/C(=O)N2CCNCC2.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C15H18N2O3.C2HF3O2/c1-20-13-4-2-12(3-5-13)14(18)6-7-15(19)17-10-8-16-9-11-17;3-2(4,5)1(6)7/h2-7,16H,8-11H2,1H3;(H,6,7)/b7-6+;
InChIKey
FXBSOXIEMBFWQY-UHDJGPCESA-N
Chemical Structure
2D Structure
2D structure of (E)-JP-2-196 Tfa
CAS: 2913587-31-0
CID: 167720027
Formula: C17H19F3N2O5
MW: 388.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass388.12460620
Monoisotopic Mass388.12460620
Topological Polar Surface Area95.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity451
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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T207757-01JP-2-196
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