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1-Piperazinehexanoic acid-thalidomide

CAT: 0013-GTR19238343-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238343-01Size:10 mg
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Description
1-Piperazinehexanoic acid-thalidomide is a bifunctional PROTAC intermediate, combining an E3 ubiquitin ligase recruiter with a linker. It is a key synthetic precursor for compounds like JMV7048, used in targeted protein degradation research for in vitro biochemical studies.
CAS Number
2819682-33-0
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (O) CCCCCN1CCN (C2=CC=C3C (=O) N (C (=O) C3=C2) C4C (=O) NC (=O) CC4) CC1
Molecular Formula
C23H28N4O6
Molecular Weight
456.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Piperazinehexanoic acid-thalidomide
CAS Number2819682-33-0
PubChem CID164865291
IUPAC Name6-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]hexanoic acid
Molecular FormulaC23H28N4O6
Molecular Weight456.5
XLogP-1.4
Topological Polar Surface Area127
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity809
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCCCCC(=O)O
InChI
InChI=1S/C23H28N4O6/c28-19-8-7-18(21(31)24-19)27-22(32)16-6-5-15(14-17(16)23(27)33)26-12-10-25(11-13-26)9-3-1-2-4-20(29)30/h5-6,14,18H,1-4,7-13H2,(H,29,30)(H,24,28,31)
InChIKey
UPLXLEGUPWZYRI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Piperazinehexanoic acid-thalidomide
CAS: 2819682-33-0
CID: 164865291
Formula: C23H28N4O6
MW: 456.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.5
XLogP3-1.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass456.20088463
Monoisotopic Mass456.20088463
Topological Polar Surface Area127 Ų
Heavy Atom Count33
Formal Charge0
Complexity809
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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