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Chemical structure of Lonodelestat

GC76540

Lonodelestat

Also known as 3-[(3R,9S,12S,15S,18S,24S,30S,33S,36S,39S,42S,45S,48S)-12-(4-aminobutyl)-15-(3-amino-3-oxopropyl)-30-[(2S)-butan-2-yl]-39-[(1R)-1-hydroxyethyl]-33-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-36-methyl-45-octyl-2,8,11,14,17,23,29,32,35,38,41,44,47-tridecaoxo-1,7,10,13,16,22,28,31,34,37,40,43,46-tridecazapentacyclo[46.3.0.03,7.018,22.024,28]henpentacontan-42-yl]propanoic acid

Lonodelestat (POL6014) is a potent, orally active and selective peptide inhibitor of human neutrophil elastase (hNE)

ChemicalCAS906547-89-5MW1478.73FormulaC71H111N15O19
CAS number
906547-89-5
Molecular weight
1478.73
Formula
C71H111N15O19
Solubility
H2O： 20 mg/mL (13·53 mM; Need ultrasonic and warming)
InChIKey
JMWYNUHGKFJVIB-QGFXQWJDSA-N
Catalogue number
GC76540
Brand
GLPBIO
Computed properties PubChem CID 71532754 · XLogP -0.7 · TPSA 510 Ų · H-bond donors 15
XLogP
-0.7
TPSA
510 Ų
H-bond donors
15
H-bond acceptors
20
Rotatable bonds
23
Heavy atoms
105

SMILES CCCCCCCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@@H]4C(=O)N5CCC[C@H]5C(=O)N1)CC6=CC=C(C=C6)O)CCCCN)CCC(=O)N)[C@@H](C)CC)CO)C)[C@@H](C)O)CCC(=O)O

Computed descriptors from PubChem (CID 71532754), 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
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