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Chemistry

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Also known as: Arv-110, 2222112-77-6, Bavdegalutamide [inn], Bavdegalutamide [usan], Arv110, H6nym0v650
Molecular Formula
C41H43ClFN9O6
Molecular Weight
812.3  g/mol
InChI Key
CLCTZVRHDOAUGJ-UHFFFAOYSA-N
FDA UNII
H6NYM0V650

Bavdegalutamide
Bavdegalutamide is an orally available selective androgen receptor (AR)-targeted protein degrader, using the proteolysis targeting chimera (PROTAC) technology, with potential antineoplastic activity. Bavdegalutamide is composed of an AR ligand attached to an E3 ligase recognition moiety. Upon oral administration, bavdegalutamide targets and binds to the AR ligand binding domain. E3 ligase is recruited to the AR by the E3 ligase recognition moiety and the AR target protein is tagged by ubiquitin. This causes ubiquitination and degradation of AR by the proteasome. This prevents the expression of AR target genes and halts AR-mediated signaling. This results in an inhibition of proliferation in AR-overexpressing tumor cells. In addition, the degradation of the AR protein releases the ARV-110 is released and can bind to additional AR target proteins. AR plays a key role in the proliferation of castration-resistant prostate cancer cells (CRPC).
1 2D Structure

Bavdegalutamide

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[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
2.1.2 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)
2.1.3 InChI Key
CLCTZVRHDOAUGJ-UHFFFAOYSA-N
2.1.4 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
2.2 Other Identifiers
2.2.1 UNII
H6NYM0V650
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Arv-110

2. 2222112-77-6

3. Bavdegalutamide [inn]

4. Bavdegalutamide [usan]

5. Arv110

6. H6nym0v650

7. 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]-

8. N-(trans-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

9. 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)-

10. N-((1r,4r)-4-(3-chloro-4-cyanophenoxy)cyclohexyl)-6-(4-((4-(2-(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

11. Starbld0008416

12. Unii-h6nym0v650

13. Arv-110 (protac)

14. Arv-110 [who-dd]

15. Chembl4862963

16. Schembl20046698

17. Gtpl11512

18. Ex-a5017

19. S6965

20. Who 11542

21. At25206

22. Ac-37002

23. As-84821

24. Compound 406 [wo2018071606a1]

25. Hy-138641

26. Cs-0159884

27. 6-[4-({4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxo-2,3-dihydro-1h-isoindol-5-yl]piperazin-1-yl}methyl)piperidin-1-yl]-n-[(1r,4r)-4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridazine-3-carboxamide

2.4 Create Date
2018-06-23
3 Chemical and Physical Properties
Molecular Weight 812.3 g/mol
Molecular Formula C41H43ClFN9O6
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass811.3008860 g/mol
Monoisotopic Mass811.3008860 g/mol
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

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ABOUT THIS PAGE

Bavdegalutamide Manufacturers

A Bavdegalutamide manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Bavdegalutamide, including repackagers and relabelers. The FDA regulates Bavdegalutamide manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Bavdegalutamide API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Bavdegalutamide Suppliers

A Bavdegalutamide supplier is an individual or a company that provides Bavdegalutamide active pharmaceutical ingredient (API) or Bavdegalutamide finished formulations upon request. The Bavdegalutamide suppliers may include Bavdegalutamide API manufacturers, exporters, distributors and traders.

Bavdegalutamide GMP

Bavdegalutamide Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Bavdegalutamide GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Bavdegalutamide GMP manufacturer or Bavdegalutamide GMP API supplier for your needs.

Bavdegalutamide CoA

A Bavdegalutamide CoA (Certificate of Analysis) is a formal document that attests to Bavdegalutamide's compliance with Bavdegalutamide specifications and serves as a tool for batch-level quality control.

Bavdegalutamide CoA mostly includes findings from lab analyses of a specific batch. For each Bavdegalutamide CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Bavdegalutamide may be tested according to a variety of international standards, such as European Pharmacopoeia (Bavdegalutamide EP), Bavdegalutamide JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Bavdegalutamide USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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