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Thalidomide-alkyne-C4-NHBoc

CAT: 0931-T89993-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T89993-01Size:10 mg
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CAS Number
2093387-85-8
Target
E3 Ligase Ligand-Linker Conjugate
Related Pathways
PROTAC
Bioactivity
Thalidomide-alkyne-C4-NHBoc serves as an E3 Ligase Ligand-Linker Conjugate. It is utilized in the synthesis of PROTAC JAK1 degrader 1.
Smiles
O=C(OC(C)(C)C)NCCCCC#CC1=CC=CC=2C(=O)N(C(=O)C12)C3C(=O)NC(=O)CC3
Molecular Formula
C24H27N3O6
Molecular Weight
453.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Thalidomide-alkyne-C4-NHBoc
CAS Number2093387-85-8
PubChem CID156698684
IUPAC Nametert-butyl N-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hex-5-ynyl]carbamate
Molecular FormulaC24H27N3O6
Molecular Weight453.5
XLogP2.2
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity893
SMILES
CC(C)(C)OC(=O)NCCCCC#CC1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C24H27N3O6/c1-24(2,3)33-23(32)25-14-7-5-4-6-9-15-10-8-11-16-19(15)22(31)27(21(16)30)17-12-13-18(28)26-20(17)29/h8,10-11,17H,4-5,7,12-14H2,1-3H3,(H,25,32)(H,26,28,29)
InChIKey
OZDRJRFGFYSWAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-alkyne-C4-NHBoc
CAS: 2093387-85-8
CID: 156698684
Formula: C24H27N3O6
MW: 453.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.5
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass453.18998559
Monoisotopic Mass453.18998559
Topological Polar Surface Area122 Ų
Heavy Atom Count33
Formal Charge0
Complexity893
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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