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Thalidomide-NH-C6-NH2 TFA

CAT: 0013-GTR19224853-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224853-01Size:2 mg
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Description
This synthetic E3 ligase ligand-linker conjugate incorporates a Thalidomide-based cereblon ligand and a PROTAC linker. It serves as a key component for constructing PROTAC molecules, enabling targeted protein degradation research in both cellular and biochemical assays.
CAS Number
2093386-51-5
Field of Research
Cell Biology, Immunology & Inflammation; Pharmacology & Drug Discovery, Pharmacology & Drug Discovery
Smiles
O=C (O) C (F) (F) F.O=C1NC (=O) C (N2C (=O) C=3C=CC=C (NCCCCCCN) C3C2=O) CC1
Molecular Formula
C21H25F3N4O6
Molecular Weight
486.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thalidomide-NH-C6-NH2 TFA
CAS Number2093386-51-5
PubChem CID146047127
IUPAC Name4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
Molecular FormulaC21H25F3N4O6
Molecular Weight486.4
Topological Polar Surface Area159
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity692
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCN.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C19H24N4O4.C2HF3O2/c20-10-3-1-2-4-11-21-13-7-5-6-12-16(13)19(27)23(18(12)26)14-8-9-15(24)22-17(14)25;3-2(4,5)1(6)7/h5-7,14,21H,1-4,8-11,20H2,(H,22,24,25);(H,6,7)
InChIKey
VUTCFPKPHCMKEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-NH-C6-NH2 TFA
CAS: 2093386-51-5
CID: 146047127
Formula: C21H25F3N4O6
MW: 486.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight486.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass486.17261902
Monoisotopic Mass486.17261902
Topological Polar Surface Area159 Ų
Heavy Atom Count34
Formal Charge0
Complexity692
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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