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Thalidomide-O-amido-C6-NH2 TFA

CAT: 0013-GTR19178096-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19178096-01Size:50 mg
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Description
Thalidomide-O-amido-C6-NH2 TFA
CAS Number
1950635-14-9
Product Name Alternative
E3 Ligase Ligand-Linker Conjugates 25, E3 Ligase Ligand-Linker Conjugates 25 TFA, E3 Ligase Ligand-Linker Conjugates 25 Trifluoroacetate, E3 Ligase Ligand-Linker Conjugates, Cereblon, Cereblon Ligand-Linker Conjugates 11, Cereblon Ligand-Linker Conjugates 11 TFA, inhibit, Inhibitor, Ligand for E3 Ligase, LigandforE3Ligase, Thalidomide O amido C6 NH2 TFA, ThalidomideOamidoC6NH2 TFA, Thalidomide-O-amido-C-6-NH2 TFA, Thalidomide-O-amido-C6-NH2 TFA
Field of Research
Cell Biology, Immunology & Inflammation; Pharmacology & Drug Discovery, Pharmacology & Drug Discovery
Purity
95.16% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (4.6 mM) ; DMSO:105.5 mg/mL (96.97 mM)
Smiles
O=C (NCCCCCCN) COC1=CC=CC (C (N2C (CC3) C (NC3=O) =O) =O) =C1C2=O.O=C (O) C (F) (F) FC1CC (=O) NC (=O) C1N2C (=O) C3=C (C2=O) C (=CC=C3) OCC (=O) NCCCCCCN.C (=O) (C (F) (F) F) O
Molecular Formula
C46H53F6N8O16
Molecular Weight
1087.95
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thalidomide-O-amido-C6-NH2 (TFA)
CAS Number1950635-14-9
PubChem CID121411039
IUPAC NameN-(6-aminohexyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid
Molecular FormulaC23H27F3N4O8
Molecular Weight544.5
Topological Polar Surface Area185
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity810
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCCCCCN.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C21H26N4O6.C2HF3O2/c22-10-3-1-2-4-11-23-17(27)12-31-15-7-5-6-13-18(15)21(30)25(20(13)29)14-8-9-16(26)24-19(14)28;3-2(4,5)1(6)7/h5-7,14H,1-4,8-12,22H2,(H,23,27)(H,24,26,28);(H,6,7)
InChIKey
KNNGJZWEJKPKSW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-O-amido-C6-NH2 (TFA)
CAS: 1950635-14-9
CID: 121411039
Formula: C23H27F3N4O8
MW: 544.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight544.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass544.17809832
Monoisotopic Mass544.17809832
Topological Polar Surface Area185 Ų
Heavy Atom Count38
Formal Charge0
Complexity810
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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Alternative Products

CatalogName
HY-112618Thalidomide-O-amido-C6-NH2
HY-112618A-01Thalidomide-O-amido-C6-NH2 (TFA)
MBS5770785Thalidomide-O-amido-C6-NH2 TFA
T18816-01Thalidomide-O-amido-C6-NH2 hydrochloride
HY-112618B-01Thalidomide-O-amido-C6-NH2 (hydrochloride)
A21639-500Thalidomide-O-amido-C6-NH2 (TFA) 500mg
A21639-5Thalidomide-O-amido-C6-NH2 (TFA) 5mg
A21639-2000Thalidomide-O-amido-C6-NH2 (TFA) 2g
A21639-200Thalidomide-O-amido-C6-NH2 (TFA) 200mg
A21639-100Thalidomide-O-amido-C6-NH2 (TFA) 100mg

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