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Chemical structure of ANAT inhibitor-2

GC75251

ANAT inhibitor-2

Also known as 1-[benzyl-[(2,4-difluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol

ANAT inhibitor-2 is a ANAT inhibitor for canavan disease, with an IC50 value of 20 μM

ChemicalCAS1048244-34-3MW387.42FormulaC22H23F2NO3
CAS number
1048244-34-3
Molecular weight
387.42
Formula
C22H23F2NO3
Solubility
DMSO： 100 mg/mL (258·12 mM; Need ultrasonic)
InChIKey
MMGYTZXQNAJWRG-UHFFFAOYSA-N
Catalogue number
GC75251
Brand
GLPBIO
Computed properties PubChem CID 46007920 · XLogP 3.3 · TPSA 45.8 Ų · H-bond donors 1
XLogP
3.3
TPSA
45.8 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
28

SMILES C1=CC=C(C=C1)CN(CC2=C(C=C(C=C2)F)F)CC(COCC3=CC=CO3)O

Computed descriptors from PubChem (CID 46007920), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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