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Chemical structure of Chitinase-IN-2 hydrochloride

GC35678

Chitinase-IN-2 hydrochloride

Also known as 6-(dimethylamino)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]benzo[de]isoquinoline-1,3-dione;hydrochloride

Chitinase-IN-2 hydrochloride is a insect chitinase and N- acetyl hexosaminidase inhibitor and pesticide; 50 uM/20uM compound concentration's inhibitory percentage are 98%/92% for chitinase/N- acetyl-hexosaminidase respectively

ChemicalCAS2070014-83-2MW431.94FormulaC20H22ClN5O2S
CAS number
2070014-83-2
Molecular weight
431.94
Formula
C20H22ClN5O2S
Solubility
DMSO： ≥ 46 mg/mL (106·50 mM)
InChIKey
YWTSCOORURJZBJ-UHFFFAOYSA-N
Catalogue number
GC35678
Brand
GLPBIO
Computed properties PubChem CID 92044409 · TPSA 107 Ų · H-bond donors 2 · H-bond acceptors 7
TPSA
107 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
29

SMILES CC1=NN=C(S1)CNCCN2C(=O)C3=C4C(=C(C=C3)N(C)C)C=CC=C4C2=O.Cl

Computed descriptors from PubChem (CID 92044409), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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