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Chemical structure of HA-CD44 interaction inhibitor 2

GC73282

HA-CD44 interaction inhibitor 2

Also known as 2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-ol

Antitumor agent-108 (compound 5) is an aluronic acid (HA)-CD44 interaction inhibitor that effectively disrupts the integrity of cancer spheroids

ChemicalCAS3009761-01-4MW329.39FormulaC19H23NO4
CAS number
3009761-01-4
Molecular weight
329.39
Formula
C19H23NO4
Solubility
DMSO : 100 mg/mL (303·59 mM; Need ultrasonic)
InChIKey
NUVDZRTYISZXFC-UHFFFAOYSA-N
Catalogue number
GC73282
Brand
GLPBIO
Computed properties PubChem CID 168475917 · XLogP 2.8 · TPSA 51.2 Ų · H-bond donors 1
XLogP
2.8
TPSA
51.2 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
24

SMILES COC1=CC(=CC(=C1OC)OC)CN2CCC3=C(C2)C=CC=C3O

Computed descriptors from PubChem (CID 168475917), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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