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Chemical structure of AKR1C3-IN-4

GC62671

AKR1C3-IN-4

Also known as 3-[4-(trifluoromethyl)anilino]benzoic acid

AKR1C3-IN-4 is a potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitor with an IC50 of 0·56 μM· AKR1C3-IN-4 has the potential for castrate resistant prostate cancer (CRPC) research

ChemicalCAS1284180-11-5MW281.23FormulaC14H10F3NO2
CAS number
1284180-11-5
Molecular weight
281.23
Formula
C14H10F3NO2
InChIKey
MDZIRNPRVJEHHX-UHFFFAOYSA-N
Catalogue number
GC62671
Brand
GLPBIO
Computed properties PubChem CID 51346826 · XLogP 4.6 · TPSA 49.3 Ų · H-bond donors 2
XLogP
4.6
TPSA
49.3 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
20

SMILES C1=CC(=CC(=C1)NC2=CC=C(C=C2)C(F)(F)F)C(=O)O

Computed descriptors from PubChem (CID 51346826), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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