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LX1

CAT: 0931-T200147-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T200147-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2647877-84-5
Target
Androgen Receptor, Reductase
Related Pathways
Metabolism, Endocrinology/Hormones
Bioactivity
LX1, an anti-prostate cancer compound, specifically targets the androgen receptor (AR), AR variants, and the steroidogenic enzyme AKR1C3. It inhibits AKR1C3's enzymatic function, decreases the conversion of androstenedione to testosterone, and reduces the expression of both AR and AR-V7, subsequently downregulating their target genes. Additionally, LX1 is effective in overcoming tumor cell resistance to Enzalutamide, and when combined with Enzalutamide, it further suppresses tumor growth.
Smiles
O=C(NC=1C=C(C=C(C1)C(F)(F)F)C(F)(F)F)C2=CC(=CC=C2O)CC=3C=CC=CC3
Molecular Formula
C22H15F6NO2
Molecular Weight
439.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CAS Number2647877-84-5
PubChem CID156388954
IUPAC Name5-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
Molecular FormulaC22H15F6NO2
Molecular Weight439.3
XLogP6.6
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity580
SMILES
C1=CC=C(C=C1)CC2=CC(=C(C=C2)O)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C22H15F6NO2/c23-21(24,25)15-10-16(22(26,27)28)12-17(11-15)29-20(31)18-9-14(6-7-19(18)30)8-13-4-2-1-3-5-13/h1-7,9-12,30H,8H2,(H,29,31)
InChIKey
VAXWPMCTIJBPLN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CAS: 2647877-84-5
CID: 156388954
Formula: C22H15F6NO2
MW: 439.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.3
XLogP36.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass439.10069769
Monoisotopic Mass439.10069769
Topological Polar Surface Area49.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity580
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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