Products for Research Use Only

AR/AR-V7-IN-1

CAT: 0013-GTR19235600-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235600-01Size:25 mg
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Description
AR/AR-V7-IN-1 (Compound 20i) is a small molecule inhibitor of the androgen receptor and its splice variant AR-V7, with an IC50 of 172.85 nM. It demonstrates anti-proliferative activity in LNCaP and 22RV1 prostate cancer cell lines and has shown efficacy in inhibiting tumor growth in a 22RV1 xenograft model, supporting its use in prostate cancer research.
CAS Number
2964558-54-9
Field of Research
Metabolism Research
Smiles
N (C1CN (CCCF) C1) C2=CC=C (CC3CCN (CC3) C4=CC=C (C (N[C@@H]5CC[C@@H] (OC6=CC (Cl) =C (C#N) C=C6) CC5) =O) N=N4) C=C2
Molecular Formula
C36H43ClFN7O2
Molecular Weight
660.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AR/AR-V7-IN-1
CAS Number2964558-54-9
PubChem CID171391464
IUPAC NameN-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[[1-(3-fluoropropyl)azetidin-3-yl]amino]phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxamide
Molecular FormulaC36H43ClFN7O2
Molecular Weight660.2
XLogP6.5
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count47
Formal Charge0
Complexity1020
SMILES
C1CC(CCC1NC(=O)C2=NN=C(C=C2)N3CCC(CC3)CC4=CC=C(C=C4)NC5CN(C5)CCCF)OC6=CC(=C(C=C6)C#N)Cl
InChI
InChI=1S/C36H43ClFN7O2/c37-33-21-32(9-4-27(33)22-39)47-31-10-7-29(8-11-31)41-36(46)34-12-13-35(43-42-34)45-18-14-26(15-19-45)20-25-2-5-28(6-3-25)40-30-23-44(24-30)17-1-16-38/h2-6,9,12-13,21,26,29-31,40H,1,7-8,10-11,14-20,23-24H2,(H,41,46)
InChIKey
YYSOVURNYFNXBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AR/AR-V7-IN-1
CAS: 2964558-54-9
CID: 171391464
Formula: C36H43ClFN7O2
MW: 660.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight660.2
XLogP36.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass659.3150795
Monoisotopic Mass659.3150795
Topological Polar Surface Area106 Ų
Heavy Atom Count47
Formal Charge0
Complexity1020
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