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Chemical structure of Chitinase-IN-2

GC35677

Chitinase-IN-2

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

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

ChemicalCAS1579991-63-1MW395.48FormulaC20H21N5O2S
CAS number
1579991-63-1
Molecular weight
395.48
Formula
C20H21N5O2S
Solubility
DMSO: ≥ 53 mg/mL (134·01 mM)
InChIKey
MZVBLDCRQKXSHR-UHFFFAOYSA-N
Catalogue number
GC35677
Brand
GLPBIO
Computed properties PubChem CID 86223064 · XLogP 2.2 · TPSA 107 Ų · H-bond donors 1
XLogP
2.2
TPSA
107 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
28

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

Computed descriptors from PubChem (CID 86223064), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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