Bavdegalutamide

 CAS No.: 2222112-77-6  Cat No.: BP-400152  Purity: 98% by HPLC 4.5  

It is an orally active, specific androgen receptor (AR) PROTAC degrader, and is also an antineoplastic agent. It promotes ubiquitination and degradation of AR and can be used for the research of prostate cancer.

Bavdegalutamide

Structure of 2222112-77-6

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Category
PROTAC
Molecular Formula
C41H43ClFN9O6
Molecular Weight
812.29

* For research and manufacturing use only. Not for human or clinical use.

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Purity
98% by HPLC
Solubility
Soluble in DMSO
Storage
Store at -20°C
IUPACName
N-[(1r,4r)-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
Synonyms
3-Pyridazinecarboxamide, N-[trans-4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[2-(2,6-dioxo-3-piperidinyl)-6-fluoro-2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl]-1-piperazinyl]methyl]-1-piperidinyl]-; ARV-110; N-((1r,4r)-4-(3-chloro-4-cyanophenoxy)cyclohexyl)-6-(4-((4-(2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindolin-5-yl)piperazin-1-yl)methyl)piperidin-1-yl)pyridazine-3-carboxamide; N-[trans-4-(3-Chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[2-(2,6-dioxo-3-piperidinyl)-6-fluoro-2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl]-1-piperazinyl]methyl]-1-piperidinyl]-3-pyridazinecarboxamide; ARV 110; ARV110; rac-N-[trans-4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-{4-[(4-{2-[(3R)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}piperazin-1-yl)methyl]piperidin-1-yl}pyridazine-3-carboxamide
Boiling Point
1074.1±65.0°C at 760 mmHg
Density
1.49±0.1 g/cm3
InChI Key
CLCTZVRHDOAUGJ-SYVGMNBRNA-N
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)/t26-,27-,34?
Canonical 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
1. PROTAC Shrinks Mutated Prostate Tumors
Cancer Discov . 2022 May 2;12(5):OF2. doi: 10.1158/2159-8290.CD-NB2022-0020.
The most clinically advanced proteolysis-targeting chimera, bavdegalutamide, seems to work best against two molecularly defined subtypes of advanced prostate cancer. According to phase I/II trial data presented at the 2022 American Society of Clinical Oncology Genitourinary Cancers Symposium, the androgen receptor degrader most commonly shows antitumor activity among patients with T878X or H875Y mutations.

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Historical Records: N-(Biotin)-N-bis(PEG1-alcohol) | N-(DBCO-PEG4)-N-Biotin-PEG4-NHS | N-(Biotin-PEG4)-N-bis(PEG4-acid) | N-(Biotin-PEG4)-N-bis(PEG4-Boc) | N-(Amino-PEG4)-N-Biotin-PEG4-acid | TCO-PEG4-biotin | Fmoc-Lys (biotin-PEG4)-OH | 2-(Biotin-amido)-1,3-bis-(C1-PEG1-acid) | AT 1 | ARD-69 | Bavdegalutamide

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