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CRBN ligand-749

CAT: 0804-HY-W1003687Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-749 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-749 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2760849-95-2
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Purity
99.41
Smiles
O=C1NC(=O)CCN1C2=NN(C=3C(F)=C(Br)C=CC23)C
Molecular Formula
C12H10BrFN4O2
Molecular Weight
341.14
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound2
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

1-(6-Bromo-7-fluoro-1-methyl-indazol-3-YL)hexahydropyrimidine-2,4-dione
CAS Number2760849-95-2
PubChem CID162725759
IUPAC Name1-(6-bromo-7-fluoro-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC12H10BrFN4O2
Molecular Weight341.14
XLogP1.4
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity438
SMILES
CN1C2=C(C=CC(=C2F)Br)C(=N1)N3CCC(=O)NC3=O
InChI
InChI=1S/C12H10BrFN4O2/c1-17-10-6(2-3-7(13)9(10)14)11(16-17)18-5-4-8(19)15-12(18)20/h2-3H,4-5H2,1H3,(H,15,19,20)
InChIKey
DGACDRNUPQHSMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(6-Bromo-7-fluoro-1-methyl-indazol-3-YL)hexahydropyrimidine-2,4-dione
CAS: 2760849-95-2
CID: 162725759
Formula: C12H10BrFN4O2
MW: 341.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.14
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass339.99712
Monoisotopic Mass339.99712
Topological Polar Surface Area67.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity438
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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