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Thalidomide-O-C6-NH2 TFA

CAT: 0013-GTR19215623-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215623-01Size:100 mg
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Description
This compound is a key component of the PROTAC molecule dTAG-13, serving as the E3 ligase ligand-linker conjugate. It enables the targeted degradation of FKBP12F36V and BET proteins, a strategy widely used in chemical biology and oncology research for target validation and mechanistic studies both in vitro and in vivo.
CAS Number
1957235-99-2
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 (OCCCCCCN) C3C2=O) CC1
Molecular Formula
C21H24F3N3O7
Molecular Weight
487.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thalidomide-O-C6-NH2 TFA
CAS Number1957235-99-2
PubChem CID134495955
IUPAC Name4-(6-aminohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
Molecular FormulaC21H24F3N3O7
Molecular Weight487.4
Topological Polar Surface Area156
Hydrogen Bond Donor Count3
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)OCCCCCCN.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C19H23N3O5.C2HF3O2/c20-10-3-1-2-4-11-27-14-7-5-6-12-16(14)19(26)22(18(12)25)13-8-9-15(23)21-17(13)24;3-2(4,5)1(6)7/h5-7,13H,1-4,8-11,20H2,(H,21,23,24);(H,6,7)
InChIKey
MSWDVCMWKADMFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-O-C6-NH2 TFA
CAS: 1957235-99-2
CID: 134495955
Formula: C21H24F3N3O7
MW: 487.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass487.15663460
Monoisotopic Mass487.15663460
Topological Polar Surface Area156 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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Alternative Products

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T18825-01Thalidomide-O-C6-NH2
T18824-01Thalidomide-O-C6-NH2 TFA
MBS3616829-01Thalidomide-O-C6-NH2 hydrochloride
HY-112618Thalidomide-O-amido-C6-NH2
HY-135250Thalidomide-4-O-C6-NH2
HY-112618A-01Thalidomide-O-amido-C6-NH2 (TFA)
MBS5770785Thalidomide-O-amido-C6-NH2 TFA
HY-112618B-01Thalidomide-O-amido-C6-NH2 (hydrochloride)
HY-135250B-01Thalidomide-4-O-C6-NH2 (hydrochloride)
MBS5819624Thalidomide-5-O-C6-NH2 hydrochloride

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