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CRBN ligand-709

CAT: 0804-HY-W998248Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-709 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-709 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
1448189-45-4
UNSPSC
12352005
Hazard Statement
H315-H319
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
CC1=C(C2=CC=C(CNC(=O)[C@H]3NC[C@H](O)C3)C=C2)SC=N1
Molecular Formula
C16H19N3O2S
Molecular Weight
317.41
Precautions
P264-P280-P302+P352-P305+P351+P338-P362+P364
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

(2S,4R)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
CAS Number1448189-45-4
PubChem CID89689772
IUPAC Name(2S,4R)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC16H19N3O2S
Molecular Weight317.4
XLogP1.3
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity388
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3)O
InChI
InChI=1S/C16H19N3O2S/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)/t13-,14+/m1/s1
InChIKey
DQZGBGLZCXHVCB-KGLIPLIRSA-N
Chemical Structure
2D Structure
2D structure of (2S,4R)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
CAS: 1448189-45-4
CID: 89689772
Formula: C16H19N3O2S
MW: 317.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.4
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass317.11979803
Monoisotopic Mass317.11979803
Topological Polar Surface Area102 Ų
Heavy Atom Count22
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 Count1
Compound Is CanonicalizedYes

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