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Chemical structure of VRT-043198

GC63256

VRT-043198

Also known as (3S)-3-[[(2S)-1-[(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid

VRT-043198, the drug metabolite of VX-765 (Belnacasan), is a potent, selective and blood-brain barrier permeable inhibitor of interleukin-converting enzyme/caspase-1 subfamily caspases

ChemicalCAS244133-31-1MW480.94FormulaC22H29ClN4O6
CAS number
244133-31-1
Molecular weight
480.94
Formula
C22H29ClN4O6
Solubility
DMSO : 180 mg/mL (374·27 mM; Need ultrasonic)|Methanol : 12·5 mg/mL (25·99 mM; Need ultrasonic)
InChIKey
SOZONDBMOYWSRW-QANKJYHBSA-N
Catalogue number
GC63256
Brand
GLPBIO
Computed properties PubChem CID 11443029 · XLogP 1.4 · TPSA 159 Ų · H-bond donors 4
XLogP
1.4
TPSA
159 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
33

SMILES CC(C)(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)C2=CC(=C(C=C2)N)Cl

Computed descriptors from PubChem (CID 11443029), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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