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Chemical structure of AT-007

GC38584

AT-007

Also known as 2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]thieno[3,4-d]pyridazin-1-yl]acetic acid

AT-007 is an orally active central nervous system (CNS) penetrant Aldose Reductase inhibitor for treatment of Galactosemia with an IC50 value of 100 pM

ChemicalCAS2170729-29-8MW425.4FormulaC17H10F3N3O3S2
CAS number
2170729-29-8
Molecular weight
425.4
Formula
C17H10F3N3O3S2
Solubility
DMSO： 35·71 mg/mL (83·94 mM)
InChIKey
ORQGHAJIWGGFJK-UHFFFAOYSA-N
Catalogue number
GC38584
Brand
GLPBIO
Computed properties PubChem CID 132260161 · XLogP 3.2 · TPSA 139 Ų · H-bond donors 1
XLogP
3.2
TPSA
139 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
28

SMILES C1=CC2=C(C=C1C(F)(F)F)N=C(S2)CN3C(=O)C4=CSC=C4C(=N3)CC(=O)O

Computed descriptors from PubChem (CID 132260161), 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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Documents
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