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CRBN ligand-798

CAT: 0804-HY-43983-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-43983-01Size:100 mg
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Description
CRBN ligand-798 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-798 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
1448189-90-9
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Purity
99.53
Smiles
CC1=C(C2=CC=C(CNC(=O)[C@H]3NC[C@H](O)C3)C=C2)SC=N1.Cl
Molecular Formula
C16H20ClN3O2S
Molecular Weight
353.87
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature, keep dry and cool
Scientific Category
Reference compound2
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

(2S,4R)-4-Hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide hydrochloride
CAS Number1448189-90-9
PubChem CID122423065
IUPAC Name(2S,4R)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.9
Topological Polar Surface Area102
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity388
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3)O.Cl
InChI
InChI=1S/C16H19N3O2S.ClH/c1-10-15(22-9-19-10)12-4-2-11(3-5-12)7-18-16(21)14-6-13(20)8-17-14;/h2-5,9,13-14,17,20H,6-8H2,1H3,(H,18,21);1H/t13-,14+;/m1./s1
InChIKey
QNLCWFKBLGSPME-DFQHDRSWSA-N
Chemical Structure
2D Structure
2D structure of (2S,4R)-4-Hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide hydrochloride
CAS: 1448189-90-9
CID: 122423065
Formula: C16H20ClN3O2S
MW: 353.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass353.0964758
Monoisotopic Mass353.0964758
Topological Polar Surface Area102 Ų
Heavy Atom Count23
Formal Charge0
Complexity388
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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