I-BET-726
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MedKoo CAT#: 525336

CAS#: 1300031-52-0

Description: I-BET-726, also known as GSK1324726A, is a potent and selective inhibitor of BET family proteins. Oral administration of I-BET726 to mouse xenograft models of human neuroblastoma results in tumor growth inhibition and down-regulation MYCN and BCL2 expression, suggesting a potential role for these genes in tumor growth.


Chemical Structure

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I-BET-726
CAS# 1300031-52-0

Theoretical Analysis

MedKoo Cat#: 525336
Name: I-BET-726
CAS#: 1300031-52-0
Chemical Formula: C25H23ClN2O3
Exact Mass: 434.1397
Molecular Weight: 434.92
Elemental Analysis: C, 69.04; H, 5.33; Cl, 8.15; N, 6.44; O, 11.04

Price and Availability

Size Price Availability Quantity
5.0mg USD 300.0 2 Weeks
10.0mg USD 500.0 2 Weeks
25.0mg USD 920.0 2 Weeks
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Synonym: I-BET-726; I-BET 726; I-BET726; GSK1324726A; GSK-1324726A; GSK 1324726A.

IUPAC/Chemical Name: 4-[(2S,4R)-1-Acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydro-6-quinolinyl]benzoic acid

InChi Key: FAWSUKOIROHXAP-NPMXOYFQSA-N

InChi Code: InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1

SMILES Code: O=C(O)C1=CC=C(C2=CC3=C(N(C(C)=O)[C@@H](C)C[C@H]3NC4=CC=C(Cl)C=C4)C=C2)C=C1

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 434.92 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Chan KH, Zengerle M, Testa A, Ciulli A. Impact of target warhead and linkage
vector on inducing protein degradation: comparison of Bromodomain and
Extra-Terminal (BET) degraders derived from triazolodiazepine (JQ1) and
tetrahydroquinoline (I-BET726) BET inhibitor scaffolds. J Med Chem. 2017 Jun 8.
doi: 10.1021/acs.jmedchem.6b01912. [Epub ahead of print] PubMed PMID: 28595007.

2: Gosmini R, Nguyen VL, Toum J, Simon C, Brusq JM, Krysa G, Mirguet O,
Riou-Eymard AM, Boursier EV, Trottet L, Bamborough P, Clark H, Chung CW, Cutler
L, Demont EH, Kaur R, Lewis AJ, Schilling MB, Soden PE, Taylor S, Walker AL,
Walker MD, Prinjha RK, Nicodème E. The discovery of I-BET726 (GSK1324726A), a
potent tetrahydroquinoline ApoA1 up-regulator and selective BET bromodomain
inhibitor. J Med Chem. 2014 Oct 9;57(19):8111-31. doi: 10.1021/jm5010539. Epub
2014 Sep 24. PubMed PMID: 25249180.

3: Wyce A, Ganji G, Smitheman KN, Chung CW, Korenchuk S, Bai Y, Barbash O, Le B,
Craggs PD, McCabe MT, Kennedy-Wilson KM, Sanchez LV, Gosmini RL, Parr N, McHugh
CF, Dhanak D, Prinjha RK, Auger KR, Tummino PJ. BET inhibition silences
expression of MYCN and BCL2 and induces cytotoxicity in neuroblastoma tumor
models. PLoS One. 2013 Aug 23;8(8):e72967. doi: 10.1371/journal.pone.0072967.
eCollection 2013. PubMed PMID: 24009722; PubMed Central PMCID: PMC3751846.