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Pomalidomide-C3-NHS ester

CAT: 0013-GTR19261250-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19261250-02Size:50 mg
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Description
Pomalidomide-C3-NHS ester is a synthetic E3 ligase ligand-linker conjugate that comprises a Pomalidomide-based cereblon ligand coupled with an NHS ester.
CAS Number
2828476-87-3
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (ON1C (=O) CCC1=O) CCCNC2=CC=CC=3C (=O) N (C (=O) C23) C4C (=O) NC (=O) CC4
Molecular Formula
C21H20N4O8
Molecular Weight
456.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pomalidomide-C3-NHS ester
CAS Number2828476-87-3
PubChem CID165413041
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanoate
Molecular FormulaC21H20N4O8
Molecular Weight456.4
XLogP0
Topological Polar Surface Area159
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity902
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCC(=O)ON4C(=O)CCC4=O
InChI
InChI=1S/C21H20N4O8/c26-14-7-6-13(19(30)23-14)24-20(31)11-3-1-4-12(18(11)21(24)32)22-10-2-5-17(29)33-25-15(27)8-9-16(25)28/h1,3-4,13,22H,2,5-10H2,(H,23,26,30)
InChIKey
BUNBREDWIITCDJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide-C3-NHS ester
CAS: 2828476-87-3
CID: 165413041
Formula: C21H20N4O8
MW: 456.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.4
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass456.12811361
Monoisotopic Mass456.12811361
Topological Polar Surface Area159 Ų
Heavy Atom Count33
Formal Charge0
Complexity902
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
HY-148142-01Pomalidomide-C3-NHS ester
HY-148143Pomalidomide-C6-NHS ester
MBS3615599-01N3-C3-NHS ester
HY-164085Azide-C3-NHCO-C3-NHS ester
T41129Bis-SS-C3-NHS ester
HY-160773A-01DBCO-C3-amide-PEG6-NHS ester
MBS5801258Bis-SS-C3-sulfo-NHS ester
BUP07157-01Tetrazine-Ph-NHCO-C3-NHS ester
2033-AATQXY21 NHS ester [equivalent to QSY-21 NHS ester]
2038-AATQXY7 NHS ester [equivalent to QSY-7 NHS ester]

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