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Bavdegalutamide

CAT: 0013-GTR19172840-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172840-05Size:50 mg
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Description
Bavdegalutamide (ARV-110) is an orally bioavailable PROTAC degrader targeting the androgen receptor (AR) . It effectively degrades clinically relevant AR mutants, even in high androgen conditions, and is suitable for in vitro and in vivo prostate cancer research, demonstrating a favorable preclinical safety profile.
CAS Number
2222112-77-6
Product Name Alternative
ARV 110, ARV110, ARV-110, Bavdegalutamide, androgen, AndrogenReceptor, Androgen Receptor, cancer, castration-resistant prostate cancer, Inhibitor, inhibit, metastatic, prostate, receptor
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
97.17% (May vary between batches)
Solubility
DMSO:41.67 mg/mL (51.3 mM) ;10% DMSO+40% PEG300+5% Tween-80+45% Saline:1 mg/mL (1.23 mM)
Smiles
O=C1C=2C (C (=O) N1C3C (=O) NC (=O) CC3) =CC (F) =C (C2) N4CCN (CC5CCN (CC5) C6=CC=C (C (N[C@@H]7CC[C@@H] (OC8=CC (Cl) =C (C#N) C=C8) CC7) =O) N=N6) CC4
Molecular Formula
C41H43ClFN9O6
Molecular Weight
812.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bavdegalutamide

Bavdegalutamide is under investigation in clinical trial NCT03888612 (Trial of ARV-110 in Patients With Metastatic Castration Resistant Prostate Cancer).

CAS Number2222112-77-6
PubChem CID134414307
IUPAC NameN-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide
Molecular FormulaC41H43ClFN9O6
Molecular Weight812.3
XLogP3.9
Topological Polar Surface Area181
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Heavy Atom Count58
Formal Charge0
Complexity1590
SMILES
C1CC(CCC1NC(=O)C2=NN=C(C=C2)N3CCC(CC3)CN4CCN(CC4)C5=C(C=C6C(=C5)C(=O)N(C6=O)C7CCC(=O)NC7=O)F)OC8=CC(=C(C=C8)C#N)Cl
InChI
InChI=1S/C41H43ClFN9O6/c42-31-19-28(4-1-25(31)22-44)58-27-5-2-26(3-6-27)45-38(54)33-7-9-36(48-47-33)51-13-11-24(12-14-51)23-49-15-17-50(18-16-49)35-21-30-29(20-32(35)43)40(56)52(41(30)57)34-8-10-37(53)46-39(34)55/h1,4,7,9,19-21,24,26-27,34H,2-3,5-6,8,10-18,23H2,(H,45,54)(H,46,53,55)
InChIKey
CLCTZVRHDOAUGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bavdegalutamide
CAS: 2222112-77-6
CID: 134414307
Formula: C41H43ClFN9O6
MW: 812.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight812.3
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass811.3008860
Monoisotopic Mass811.3008860
Topological Polar Surface Area181 Ų
Heavy Atom Count58
Formal Charge0
Complexity1590
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T22263-01Bavdegalutamide
C12351-1gBavdegalutamide (ARV-110)
A23909-50Bavdegalutamide (ARV-110) 50mg
A23909-10Bavdegalutamide (ARV-110) 10mg
A23909-5Bavdegalutamide (ARV-110) 5mg
A23909-1Bavdegalutamide (ARV-110) 1mg

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