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Thalidomide-piperidin-4-ylmethanol

CAT: 0804-HY-W881241Size: 1 EachDry Ice: NoHazardous: No
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Description
Thalidomide-piperidin-4-ylmethanol is an E3 ligase ligand-linker conjugate containing a CRBN-based ligand and linker, which can be used to synthesize PROTAC.
CAS Number
2229717-49-9
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
E3 Ligase Ligand-Linker Conjugates
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Smiles
O=C1C2=CC=C(C=C2C(=O)N1C3C(=O)NC(=O)CC3)N4CCC(CO)CC4
Molecular Formula
C19H21N3O5
Molecular Weight
371.39
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

2-(2,6-Dioxopiperidin-3-yl)-5-(4-(hydroxymethyl)piperidin-1-yl)isoindoline-1,3-dione
CAS Number2229717-49-9
PubChem CID134580242
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[4-(hydroxymethyl)piperidin-1-yl]isoindole-1,3-dione
Molecular FormulaC19H21N3O5
Molecular Weight371.4
XLogP0.5
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity658
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCC(CC4)CO
InChI
InChI=1S/C19H21N3O5/c23-10-11-5-7-21(8-6-11)12-1-2-13-14(9-12)19(27)22(18(13)26)15-3-4-16(24)20-17(15)25/h1-2,9,11,15,23H,3-8,10H2,(H,20,24,25)
InChIKey
YHCSVEJVPNJOJB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,6-Dioxopiperidin-3-yl)-5-(4-(hydroxymethyl)piperidin-1-yl)isoindoline-1,3-dione
CAS: 2229717-49-9
CID: 134580242
Formula: C19H21N3O5
MW: 371.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.4
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass371.14812078
Monoisotopic Mass371.14812078
Topological Polar Surface Area107 Ų
Heavy Atom Count27
Formal Charge0
Complexity658
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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Alternative Products

CatalogName
FP59193-01Piperidin-4-ylmethanol
217231PIPERIDIN-1-YLMETHANOL
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sc-258531A1- (Pyrimidin-2yl) piperidin-4-ylmethanol
OR302390Piperidin-3-ylmethanol hydrochloride
OR917897-01(2S) -Piperidin-2-ylmethanol
OR910571(2R) -piperidin-2-ylmethanol
OR1020718(3S) -Piperidin-3-ylmethanol
GTR19276072-01Thalidomide-piperidin-O-piperidin TFA
GTR19277446-01Thalidomide-piperidin-C-piperidin hydrochloride

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