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Chemical structure of CSN5i-3

GC34340

CSN5i-3

Also known as 3-(difluoromethyl)-N-[4-[(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl]-3-phenylphenyl]-1-propan-2-ylpyrazole-5-carboxamide

CSN5i-3 is a potent, selective and orally available inhibitor of CSN5/Jab1, and inhibits CSN-catalysed Cul1 deneddylation with an IC50 value of 5·8?nM

ChemicalCAS2375740-98-8MW505.56FormulaC28H29F2N5O2
CAS number
2375740-98-8
Molecular weight
505.56
Formula
C28H29F2N5O2
Solubility
DMSO： ≥ 100 mg/mL (197·80 mM)
InChIKey
ANNKHJQLDMGQFM-UIOOFZCWSA-N
Catalogue number
GC34340
Brand
GLPBIO
Computed properties PubChem CID 129892190 · XLogP 4.3 · TPSA 85 Ų · H-bond donors 2
XLogP
4.3
TPSA
85 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
37

SMILES CC(C)N1C(=CC(=N1)C(F)F)C(=O)NC2=CC(=C(C=C2)[C@H]3[C@H](CCCC4=CN=CN34)O)C5=CC=CC=C5

Computed descriptors from PubChem (CID 129892190), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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