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ARV-771 - 98%, high purity , CAS No.1949837-12-0, Inhibitor of bromodomain containing 2;Inhibitor of bromodomain containing 3;Inhibitor of bromodomain containing 4

COA COA
In stock
Item Number
A414042
Grouped product items
SKU Size
Availability
 Price Qty
A414042-1mg
1mg
2
$58.90
A414042-5mg
5mg
2
$116.90
A414042-10mg
10mg
2
$187.90
A414042-25mg
25mg
2
$373.90
A414042-50mg
50mg
1
$556.90
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PROTAC

View related series
Aliphatic Linkers (102) bromodomain containing 2 Inhibitor (15) bromodomain containing 3 Inhibitor (11) bromodomain containing 4 Inhibitor (42) DBCO PEG (216) Epigenetic Reader Domain (314) Epigenetics (1496) Hydroxy PEG (472) PROTAC (2077) PROTAC linker (720) PROTACs (183)

Basic Description

Synonyms JQ1-VHL
Specifications & Purity Moligand™, ≥98%
Biochemical and Physiological Mechanisms ARV-771 is a potent pan-(bromodomain and extra-terminal)BET degrader, a novel BET-PROTAC(proteolysis-targeting chimera) with Kd of 34 nM, 4.7 nM, 8.3 nM, 7.6 nM, 9.6 nM, and 7.6 nM for BRD2(1), BRD2(2), BRD3(1), BRD3(2), BRD4(1), and BRD4(2), respectively
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™
Action Type INHIBITOR
Mechanism of action Inhibitor of bromodomain containing 2;Inhibitor of bromodomain containing 3;Inhibitor of bromodomain containing 4
Product Description

Information

ARV-771 is a potent pan-(bromodomain and extra-terminal)BET degrader, a novel BET-PROTAC(proteolysis-targeting chimera) with Kd of 34 nM, 4.7 nM, 8.3 nM, 7.6 nM, 9.6 nM, and 7.6 nM for BRD2(1), BRD2(2), BRD3(1), BRD3(2), BRD4(1), and BRD4(2), respectively.


Targets

BRD2-BD2 (Cell-free assay); BRD3-BD2 (Cell-free assay); BRD4-BD2 (Cell-free assay); BRD3-BD1 (Cell-free assay); BRD4-BD1 (Cell-free assay) 32850,4.7 nM(Kd); 7.6 nM(Kd); 7.6 nM(Kd); 8.3 nM(Kd); 9.6 nM(Kd)


In vitro

ARV-771 is a potent small-molecule pan-BET degrader based on proteolysis-targeting chimera (PROTAC) technology, demonstrates dramatically improved efficacy in cellular models of CRPC as compared with BET inhibition. ARV-771 treatment of CRPC cells results in apoptosis.


In vivo

ARV-771 induces degradation in vivo. ARV-771 results in suppression of both AR signaling and AR levels and leads to tumor regression in a CRPC mouse xenograft model.


Cell Research(from reference)

Cell lines：22Rv1 cells, VCaP cells, LnCaP95 cells 

Concentrations：1-300 nM 

Incubation Time：24 h, 72 h 

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic acids and derivatives
Class Carboxylic acids and derivatives
Subclass Amino acids, peptides, and analogues
Intermediate Tree Nodes Peptides
Direct Parent Dipeptides
Alternative Parents Valine and derivatives  Proline and derivatives  N-acyl-alpha amino acids and derivatives  Alpha amino acid amides  Thienodiazepines  Pyrrolidinecarboxamides  N-acylpyrrolidines  Chlorobenzenes  1,4-diazepines  N-acyl amines  Thiophenes  Thiazoles  Tertiary carboxylic acid amides  Secondary ketimines  Heteroaromatic compounds  Secondary alcohols  Propargyl-type 1,3-dipolar organic compounds  Dialkyl ethers  Azacyclic compounds  Organosulfur compounds  Organopnictogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Alpha-dipeptide - Valine or derivatives - Proline or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Thieno-para-diazepine - Alpha-amino acid or derivatives - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - Halobenzene - Chlorobenzene - Para-diazepine - Fatty acyl - Benzenoid - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Thiazole - Tertiary carboxylic acid amide - Secondary ketimine - Pyrrolidine - Azole - Secondary alcohol - Ketimine - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Alcohol - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
External Descriptors Not available

Associated Targets(Human)

BRD4 Tchem Bromodomain-containing protein 4 (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
BRD3 Tchem Bromodomain-containing protein 3 (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
BRD2 Tchem Bromodomain-containing protein 2 (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HL-60 (67320 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EOL1 (427 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HeLa (62764 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MV4-11 (7307 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CWR22R (2180 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRD2 Tchem Bromodomain-containing protein 2 (1296 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRD3 Tchem Bromodomain-containing protein 3 (1086 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RS4-11 (1012 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
VHL Tchem Von Hippel-Lindau disease tumor suppressor (136 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CASP3 Tchem Caspase-3/Caspase-7 (60 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MOLM-13 (2241 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRD4 Tchem von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 4 (105 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MYC Tchem von Hippel-Lindau disease tumor suppressor/Myc proto-oncogene protein (2 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRD2 Tchem von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 2 (53 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRD3 Tchem von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 3 (16 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
VCaP (1078 Activities)
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

IUPAC Name (2S,4R)-1-[(2S)-2-[[2-[3-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
INCHI InChI=1S/C49H60ClN9O7S2/c1-27-30(4)68-48-41(27)42(33-14-16-35(50)17-15-33)54-37(45-57-56-31(5)59(45)48)23-39(61)51-18-21-65-19-9-20-66-25-40(62)55-44(49(6,7)8)47(64)58-24-36(60)22-38(58)46(63)53-28(2)32-10-12-34(13-11-32)43-29(3)52-26-67-43/h10-17,26,28,36-38,44,60H,9,18-25H2,1-8H3,(H,51,61)(H,53,63)(H,55,62)/t28-,36+,37-,38-,44+/m0/s1
InChIKey PQOGZKGXGLHDGS-QQRWPDCKSA-N
Smiles CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCOCCCOCC(=O)NC(C(=O)N4CC(CC4C(=O)NC(C)C5=CC=C(C=C5)C6=C(N=CS6)C)O)C(C)(C)C)C7=CC=C(C=C7)Cl)C
Isomeric SMILES CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCOCCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@H](C)C5=CC=C(C=C5)C6=C(N=CS6)C)O)C(C)(C)C)C7=CC=C(C=C7)Cl)C
Molecular Weight 986.64
Reaxy-Rn 56712042
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=56712042&ln=

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

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

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot Number Certificate Type Date Item
G2411497 Certificate of Analysis Mar 28, 2024 A414042
G2411502 Certificate of Analysis Mar 28, 2024 A414042
G2411498 Certificate of Analysis Mar 28, 2024 A414042
G2411503 Certificate of Analysis Mar 28, 2024 A414042
G2411496 Certificate of Analysis Mar 28, 2024 A414042
G2411499 Certificate of Analysis Mar 28, 2024 A414042
G2411500 Certificate of Analysis Mar 28, 2024 A414042
G2411501 Certificate of Analysis Mar 28, 2024 A414042
G2411504 Certificate of Analysis Mar 28, 2024 A414042
G2411505 Certificate of Analysis Mar 28, 2024 A414042

Chemical and Physical Properties

Solubility Solubility (25°C) In vitro DMSO: 100 mg/mL (101.35 mM); Ethanol: 100 mg/mL (101.35 mM); Water: Insoluble;
Molecular Weight 986.600 g/mol
XLogP3 5.900
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 19
Exact Mass 985.375 Da
Monoisotopic Mass 985.375 Da
Topological Polar Surface Area 259.000 Ų
Heavy Atom Count 68
Formal Charge 0
Complexity 1750.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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