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ARV-110 - 98%, high purity , CAS No.2222112-77-6

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 2222112-77-6
Molecular Weight: 812.29
PubChem CID: 134414307
PubChem SID: 504773156

In stock

Item Number

A413689

Grouped product items
SKU	Size	Availability	Price
A413689-5mg	5mg	3	$166.90
A413689-10mg	10mg	3	$256.90
A413689-25mg	25mg	2	$503.90
A413689-50mg	50mg	2	$751.90
A413689-100mg	100mg	2	$1,127.90

Androgen Receptor Inhibitors

View related series

Androgen Receptor (133) Vitamin D Related/Nuclear Receptor (907)

Basic Description

Synonyms	Bavdegalutamide [INN] \| H6NYM0V650 \| 2222112-77-6 \| Bavdegalutamide [USAN:INN] \| HY-138641 \| 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)pipe
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	ARV-110 is an orally bioavailable, specific androgen receptor (AR) PROTAC degrader that leads to ubiquitination and degradation of AR. ARV-110 completely degrades androgen receptor (AR) in all cell lines tested with DC50 of < 1 nM. ARV-110 can be used
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Product Description	Information ARV-110 ARV-110 is an orally bioavailable, specific androgen receptor (AR) PROTAC degrader that leads to ubiquitination and degradation of AR. ARV-110 completely degrades androgen receptor (AR) in all cell lines tested with DC50 of < 1 nM. ARV-110 can be used for the research of prostate cancer. Targets AR (Cell-free assay) 1 nM(DC50)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	N-arylpiperazines
Alternative Parents	Phthalimides Alpha amino acids and derivatives Piperidinediones Phenoxy compounds Phenol ethers Dialkylarylamines Benzonitriles N-alkylpiperazines Delta lactams Chlorobenzenes Aminopyridazines Alkyl aryl ethers Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines N-acyl amines Imidolactams N-unsubstituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Trialkylamines Vinyl fluorides Vinyl chlorides Nitriles Fluoroalkenes Enamines Chloroalkenes Carboxylic acid amides Azacyclic compounds Amidines Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-arylpiperazine - Phthalimide - Isoindolone - Alpha-amino acid or derivatives - Isoindole or derivatives - Isoindoline - Phenoxy compound - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Piperidinedione - Phenol ether - Benzonitrile - N-alkylpiperazine - Piperidinone - Halobenzene - Delta-lactam - Chlorobenzene - Aminopyridazine - Alkyl aryl ether - Imidolactam - Benzenoid - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - Pyridazine - Piperidine - Carboxylic acid imide, n-substituted - N-acyl-amine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrolidine - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Fluoroalkene - Chloroalkene - Haloalkene - Vinyl halide - Vinyl fluoride - Vinyl chloride - Nitrile - Carbonitrile - Ether - Enamine - Carboxylic acid derivative - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LNCaP (8286 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

VCaP (1078 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504773156
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504773156
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
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
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
Isomeric 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
Alternate CAS	2222112-77-6
Molecular Weight	812.29
Reaxy-Rn	32558084
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32558084&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
K2218321	Certificate of Analysis	Aug 25, 2022	A413689
K2218180	Certificate of Analysis	Aug 25, 2022	A413689
K2218204	Certificate of Analysis	Aug 25, 2022	A413689
K2218220	Certificate of Analysis	Aug 25, 2022	A413689
K2218177	Certificate of Analysis	Aug 25, 2022	A413689

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 50 mg/mL (61.55 mM); Water: Insoluble; Ethanol: Insoluble;
Molecular Weight	812.300 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	9
Exact Mass	811.301 Da
Monoisotopic Mass	811.301 Da
Topological Polar Surface Area	181.000 Å²
Heavy Atom Count	58
Formal Charge	0
Complexity	1590.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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