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Chemical structure of Anti-inflammatory agent 49

GC73587

Anti-inflammatory agent 49

Also known as N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-methylacetamide

nti-inflammatory agent 49 (compound SC9) is a quite potent and selective inhibitor of Drp1-Fis1 interaction and can reduce FIS1-mediated mitochondrial dysfunction

ChemicalCAS851471-44-8MW466.52FormulaC21H22N8O3S
CAS number
851471-44-8
Molecular weight
466.52
Formula
C21H22N8O3S
Solubility
DMSO : 100 mg/mL (214·35 mM; Need ultrasonic)
InChIKey
JHYOSGNTLVJJKT-UHFFFAOYSA-N
Catalogue number
GC73587
Brand
GLPBIO
Computed properties PubChem CID 2472109 · XLogP 1.3 · TPSA 164 Ų · H-bond donors 2
XLogP
1.3
TPSA
164 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
33

SMILES CC1=CC(=NC2=NC(=NN12)SCC(=O)N(C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N)C

Computed descriptors from PubChem (CID 2472109), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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