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LX1

CAT: 0804-HY-163940-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-163940-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LX1 is an anti-prostate cancer compound that targets androgen receptor (AR), AR variants and steroidogenic enzyme AKR1C3. LX1 inhibits the enzymatic activity of AKR1C3, reduces the conversion of androstenedione to testosterone and reduces the expression of AR and AR-V7 and downregulates their target genes. LX1 overcomes the resistance of tumor cells to Enzalutamide , and the combination with Enzalutamide (HY-70002) further inhibits tumor growth[1].
CAS Number
2647877-84-5
UNSPSC
12352005
Target
Aldose Reductase; Androgen Receptor
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/lx1.html
Purity
99.13
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C2=C(O)C=CC(CC3=CC=CC=C3)=C2
Molecular Formula
C22H15F6NO2
Molecular Weight
439.35
References & Citations
[1]Shu Ning, et al. "LX1 Targets Androgen Receptor Variants and AKR1C3 to overcome Therapy Resistance in Advanced Prostate Cancer." Cancer Research (2024) .
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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