I-BET-726 | GSK1324726A | CAS#1300031-52-0

MedKoo Cat#: 525336 | Name: I-BET-726

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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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

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
5mg	USD 250.00	2 Weeks
10mg	USD 450.00	2 Weeks
50mg	USD 1,150.00	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

More Info

Product Data

Product Data

Instruction

View handling instruction

Biological target:

GSK1324726A is a novel, potent, and selective inhibitor of BET proteins with high affinity to BRD2 (IC50=41 nM), BRD3 (IC50=31 nM), and BRD4 (IC50=22 nM).

In vitro activity:

In A431 cells, I-BET726 (50 nm) was significantly more potent in inhibiting cell viability (Fig. S1A) and proliferation (Fig. S1B) than even higher concentrations of JQ1 (500 nm), CPI203 (500 nm), and AZD5153 (100 nm). These results show that I-BET726 potently inhibits survival, proliferation and migration of established and primary human skin SCC cells. Reference: Cell Death Dis. 2020 May 5;11(5):318. https://pubmed.ncbi.nlm.nih.gov/32371868/

In vivo activity:

In the CHP-212 model, treatment with 5 mg/kg I-BET726 resulted in TGI (tumor growth inhibition) equal to 50% (n=8; p= 0.1816; Figure 7C), and mice in the 15 mg/kg group exhibited a TGI of 82% at the end of the study (n=5; p =0.0488). Taken together, these data highlight the potential of BET inhibitors such as I-BET726 as potent anti-tumor agents in neuroblastoma, in part through the alteration of apoptotic and N-Myc-driven pathways. Reference: PLoS One. 2013 Aug 23;8(8):e72967. https://pubmed.ncbi.nlm.nih.gov/24009722/

	Solvent	mg/mL	mM
Solubility
	DMF	30.0	68.98
	DMSO	52.3	120.33
	DMSO:PBS (pH 7.2) (1:4)	0.2	0.46
	Ethanol	15.0	34.49

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

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.

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

Formulation protocol:

1. Liu Z, Li P, Yang YQ, Cai S, Lin X, Chen MB, Guo H. I-BET726 suppresses human skin squamous cell carcinoma cell growth in vitro and in vivo. Cell Death Dis. 2020 May 5;11(5):318. doi: 10.1038/s41419-020-2515-z. PMID: 32371868; PMCID: PMC7200671. 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. PMID: 25249180. 3. Liu Z, Li P, Yang YQ, Cai S, Lin X, Chen MB, Guo H. I-BET726 suppresses human skin squamous cell carcinoma cell growth in vitro and in vivo. Cell Death Dis. 2020 May 5;11(5):318. doi: 10.1038/s41419-020-2515-z. PMID: 32371868; PMCID: PMC7200671. 4. 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. PMID: 24009722; PMCID: PMC3751846.

In vitro protocol:

In vivo protocol:

1. Liu Z, Li P, Yang YQ, Cai S, Lin X, Chen MB, Guo H. I-BET726 suppresses human skin squamous cell carcinoma cell growth in vitro and in vivo. Cell Death Dis. 2020 May 5;11(5):318. doi: 10.1038/s41419-020-2515-z. PMID: 32371868; PMCID: PMC7200671. 2. 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. PMID: 24009722; PMCID: PMC3751846.

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.