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Thalidomide-piperidin-C-piperidin

CAT: 0804-HY-W998300Size: 1 EachDry Ice: NoHazardous: No
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Description
Thalidomide-piperidin-C-piperidin is an E3 ligase ligand-linker conjugate containing a CRBN-based ligand and linker, which can be used to synthesize PROTAC.
CAS Number
2714477-27-5
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
E3 Ligase Ligand-Linker Conjugates
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C1NC(=O)C(N2C(=O)C3=CC=C(C=C3C2=O)N4CCC(CC4)CC5CCNCC5)CC1
Molecular Formula
C24H30N4O4
Molecular Weight
438.53
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-(piperidin-4-ylmethyl)piperidin-1-yl)isoindoline-1,3-dione
CAS Number2714477-27-5
PubChem CID162470101
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[4-(piperidin-4-ylmethyl)piperidin-1-yl]isoindole-1,3-dione
Molecular FormulaC24H30N4O4
Molecular Weight438.5
XLogP2.1
Topological Polar Surface Area98.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity772
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCC(CC4)CC5CCNCC5
InChI
InChI=1S/C24H30N4O4/c29-21-4-3-20(22(30)26-21)28-23(31)18-2-1-17(14-19(18)24(28)32)27-11-7-16(8-12-27)13-15-5-9-25-10-6-15/h1-2,14-16,20,25H,3-13H2,(H,26,29,30)
InChIKey
BNMZWHCDQMRJGG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,6-Dioxopiperidin-3-yl)-5-(4-(piperidin-4-ylmethyl)piperidin-1-yl)isoindoline-1,3-dione
CAS: 2714477-27-5
CID: 162470101
Formula: C24H30N4O4
MW: 438.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.5
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass438.22670545
Monoisotopic Mass438.22670545
Topological Polar Surface Area98.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity772
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
GTR19276249-01Thalidomide-piperidin-C-piperidin
GTR19277446-01Thalidomide-piperidin-C-piperidin hydrochloride
GTR19276072-01Thalidomide-piperidin-O-piperidin TFA
GTR19276057-01Boc-piperidin-C-COOH
OR10208791- (Piperidin-4-yl) piperidin-4-ol
OR10208781- (Piperidin-4-yl) piperidin-3-ol
sc-264074A(Piperidin-1-yl) (Piperidin-4-yl) methanone
KHD06392-011- (Piperidin-3-yl) piperidin-2-one dihydrochloride
RIB20067-011- (Piperidin-4-yl) piperidin-2-one hydrochloride
QCC36783-011- (Piperidin-4-ylmethyl) piperidin-2-one dihydrochloride

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