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I-BET762 - 98% (HPLC), high purity , Bromodomain and extra-terminal motif (BET) inhibitor, CAS No.1260907-17-2, Bromodomain and extra-terminal motif (BET) inhibitor

In stock
Item Number
I166771
Grouped product items
SKUSizeAvailabilityPrice Qty
I166771-5mg
5mg
3
$103.90
I166771-10mg
10mg
3
$153.90
I166771-25mg
25mg
2
$346.90
I166771-50mg
50mg
2
$450.90
I166771-100mg
100mg
1
$741.90
I166771-250mg
250mg
1
$1,669.90
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Potent and high affinity BRD inhibitor; anti-inflammatory.

View related series
bromodomain containing 2 Inhibitor (15) bromodomain containing 3 Inhibitor (11) bromodomain containing 4 Inhibitor (42) Epigenetic Reader Domain (260) Epigenetics (1500)

Basic Description

SynonymsGSK525762 | GSK525762A | CS-0717 | UNII-5QIO6SRZ2R | CHEBI:95082 | MOLIBRESIB [WHO-DD] | 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetamide, 6-(4-chlorophenyl)-N-ethyl-8-methoxy-1-methyl-, (4S)- | 1-Phenylaethylbiguanid hydrochlorid [German] | J-005
Specifications & PurityMoligand™, ≥98%(HPLC)
Biochemical and Physiological MechanismsPotent and high affinity BRD inhibitor (IC50= 32.5 - 42.5 nM; Kd= 50.5 - 61.3 nM). Inhibits myeloma cell proliferation. Attenuates transcription of oncogenic MYC and suppresses key inflammatory genes. Exhibits efficacy in a range of oncology and immunoinf
Storage TempStore at -20°C
Shipped InIce chest + Ice pads
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionBromodomain and extra-terminal motif (BET) inhibitor

Product Properties

ALogP2.9

Associated Targets(Human)

BRD4 Tchem Bromodomain-containing protein 4 (58 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BRDT Tchem Bromodomain testis-specific protein (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BRD3 Tchem Bromodomain-containing protein 3 (16 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BRD2 Tchem Bromodomain-containing protein 2 (18 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NALM-6 (592 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THP-1 (11052 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BJ (6930 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Kasumi 1 (420 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LNCaP (8286 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PBMC (10003 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MV4-11 (7307 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CWR22R (2180 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EP300 Tchem Histone acetyltransferase p300 (1259 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAPK7 Tchem Mitogen-activated protein kinase 7 (929 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CREBBP Tchem CREB-binding protein (1602 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsomes (16955 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver (3974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD2 Tchem Bromodomain-containing protein 2 (1296 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRDT Tchem Bromodomain testis-specific protein (576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD3 Tchem Bromodomain-containing protein 3 (1086 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD2 Tchem ATPase family AAA domain-containing protein 2 (598 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LOUCY (83 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
697 (196 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMARCA4 Tchem Transcription activator BRG1 (263 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MOLM-13 (2241 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LNCaP C4-2B (271 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MM1.S (1111 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7:TAM1 (25 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cynomolgus monkey (4946 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Blood (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

Pubchem Sid488201413
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488201413
IUPAC Name 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
INCHI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
InChi Key AAAQFGUYHFJNHI-SFHVURJKSA-N
Canonical SMILES CCNC(=O)CC1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C
Isomeric SMILES CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C
PubChem CID 46943432
Molecular Weight 423.9

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.

12 results found

Lot NumberCertificate TypeDateItem
D2317139Certificate of AnalysisMar 09, 2023 I166771
D2317152Certificate of AnalysisMar 09, 2023 I166771
D2317153Certificate of AnalysisMar 09, 2023 I166771
D2317141Certificate of AnalysisMar 09, 2023 I166771
D2317151Certificate of AnalysisMar 09, 2023 I166771
D2317142Certificate of AnalysisMar 09, 2023 I166771
D2317162Certificate of AnalysisMar 09, 2023 I166771
D2317228Certificate of AnalysisMar 09, 2023 I166771
D2317135Certificate of AnalysisMar 09, 2023 I166771
D2317148Certificate of AnalysisMar 09, 2023 I166771
D2317149Certificate of AnalysisMar 09, 2023 I166771
D2317136Certificate of AnalysisMar 09, 2023 I166771

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Chemical and Physical Properties

SolubilitySolvent:DMSO, Max Conc. mg/mL: 42.39, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 42.39, Max Conc. mM: 100
Molecular Weight423.900 g/mol
XLogP32.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass423.146 Da
Monoisotopic Mass423.146 Da
Topological Polar Surface Area81.400 Ų
Heavy Atom Count30
Formal Charge0
Complexity639.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1

Safety and Hazards(GHS)

Pictogram(s) GHS06,   GHS08,   GHS05
Signal Danger
Hazard Statements

H301:Toxic if swallowed

H373:Causes damage to organs through prolonged or repeated exposure

H314:Causes severe skin burns and eye damage

H318:Causes serious eye damage

H360:May damage fertility or the unborn child

Precautionary Statements

P280:Wear protective gloves/protective clothing/eye protection/face protection.

P321:Specific treatment (see ... on this label).

P405:Store locked up.

P501:Dispose of contents/container to ...

P264:Wash hands [and …] thoroughly after handling.

P260:Do not breathe dust/fume/gas/mist/vapors/spray.

P270:Do not eat, drink or smoke when using this product.

P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P363:Wash contaminated clothing before reuse.

P330:Rinse mouth.

P203:Obtain, read and follow all safety instructions before use.

P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes.

P301+P316:IF SWALLOWED: Get emergency medical help immediately.

P305+P354+P338:IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing.

P318:if exposed or concerned, get medical advice.

P317:Get emergency medical help.

P302+P361+P354:IF ON SKIN: Take off Immediately all contaminated clothing. Immediately rinse with water for several minutes.

P316:Get emergency medical help immediately.

P319:Get medical help if you feel unwell.

Specifications

 Specification Sheet

References

1. Nicodeme E, Jeffrey KL, Schaefer U, Beinke S, Dewell S, Chung CW, Chandwani R, Marazzi I, Wilson P, Coste H et al..  (2010)  Suppression of inflammation by a synthetic histone mimic..  Nature,  468  (7327): (1119-23).  [PMID:21068722] [10.1021/op500134e]
2. Chung CW, Coste H, White JH, Mirguet O, Wilde J, Gosmini RL, Delves C, Magny SM, Woodward R, Hughes SA et al..  (2011)  Discovery and characterization of small molecule inhibitors of the BET family bromodomains..  J Med Chem,  54  (11): (3827-38).  [PMID:21568322] [10.1021/op500134e]
3. Chaidos A, Caputo V, Gouvedenou K, Liu B, Marigo I, Chaudhry MS, Rotolo A, Tough DF, Smithers NN, Bassil AK et al..  (2014)  Potent antimyeloma activity of the novel bromodomain inhibitors I-BET151 and I-BET762..  Blood,  123  (5): (697-705).  [PMID:24335499] [10.1021/op500134e]
4. A-González N, Castrillo A.  (2011)  Liver X receptors as regulators of macrophage inflammatory and metabolic pathways..  Biochim Biophys Acta,  1812  (8): (982-94).  [PMID:21193033] [10.1021/op500134e]

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