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Chemical structure of VHL-IN-1

GC73611

VHL-IN-1

Also known as (2S,4R)-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

VHL-IN-1 (compound 30) is a ubiquitin E3 ligase von Hippel-Lindau (VHL) inhibitor (dissociation constant Kd=37 nM) that stabilizes and induces HIF-1α transcriptional activity

ChemicalCAS3033117-53-9MW544.68FormulaC28H37FN4O4S
CAS number
3033117-53-9
Molecular weight
544.68
Formula
C28H37FN4O4S
Solubility
DMSO ： 100 mg/mL (183·59 mM; Need ultrasonic)
InChIKey
NBHYPBDUODSQHJ-DTPUHQDNSA-N
Catalogue number
GC73611
Brand
GLPBIO
Computed properties PubChem CID 166904461 · XLogP 3.8 · TPSA 140 Ų · H-bond donors 3
XLogP
3.8
TPSA
140 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
38

SMILES CC1=C(C=CC(=C1)C2=C(N=CS2)C)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O

Computed descriptors from PubChem (CID 166904461), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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