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LX1

CAT: 0013-GTR19239217-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239217-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LX1 is a small molecule research compound that targets prostate cancer by inhibiting AKR1C3, suppressing AR and AR-V7 expression, and blocking androgen synthesis. It overcomes Enzalutamide resistance and shows synergistic anti-tumor effects in combination therapy in preclinical models.
CAS Number
2647877-84-5
Field of Research
Metabolism Research
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
Storage Conditions
-20°C
Notes
For research use only.

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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