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Thalidomide-NH-C4-NH-Boc

CAT: 0931-T18807-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T18807-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2093388-52-2
Target
Apoptosis, Ligand for E3 Ligase, E3 Ligase Ligand-Linker Conjugate, Autophagy
Related Pathways
PROTAC, Apoptosis, Autophagy
Purity
0.9887
Bioactivity
Thalidomide-NH-C4-NH-Boc is a synthesized conjugate used in PROTAC technology, combining a Thalidomide-based cereblon ligand with a linker.
Smiles
O=C1C=2C(C(=O)N1C3C(=O)NC(=O)CC3)=CC=CC2NCCCCNC(OC(C)(C)C)=O
Molecular Formula
C22H28N4O6
Molecular Weight
444.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Thalidomide-NH-C4-NH-Boc
CAS Number2093388-52-2
PubChem CID138694407
IUPAC Nametert-butyl N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]carbamate
Molecular FormulaC22H28N4O6
Molecular Weight444.5
XLogP2.1
Topological Polar Surface Area134
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity777
SMILES
CC(C)(C)OC(=O)NCCCCNC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C22H28N4O6/c1-22(2,3)32-21(31)24-12-5-4-11-23-14-8-6-7-13-17(14)20(30)26(19(13)29)15-9-10-16(27)25-18(15)28/h6-8,15,23H,4-5,9-12H2,1-3H3,(H,24,31)(H,25,27,28)
InChIKey
OYPNLZMEXLFKLB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-NH-C4-NH-Boc
CAS: 2093388-52-2
CID: 138694407
Formula: C22H28N4O6
MW: 444.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.5
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass444.20088463
Monoisotopic Mass444.20088463
Topological Polar Surface Area134 Ų
Heavy Atom Count32
Formal Charge0
Complexity777
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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