MDK8228 | PF-CBP/BRD4 | CAS#1962928-22-8

MedKoo Cat#: 525990 | Name: MDK8228

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Description:

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

MDK8228, also known as PF-CBP/BRD4, is a novel dual CBP/p300 and BRD4 bromodomain inhibitor, downregulating IL-6, IL-ß and IFN-ß in macrophages. MDK8228 has CAS#1962928-22-8. The last 4 digit CAS number is used for its name.

Chemical Structure

MDK8228

CAS#1962928-22-8

Theoretical Analysis

MedKoo Cat#: 525990

Name: MDK8228

CAS#: 1962928-22-8

Chemical Formula: C31H41N5O3

Exact Mass: 531.3209

Molecular Weight: 531.70

Elemental Analysis: C, 70.03; H, 7.77; N, 13.17; O, 9.03

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 285.00	2 Weeks
25mg	USD 850.00	2 Weeks

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Related CAS #

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Synonym

PF-CBP/BRD4; MDK8228; MDK-8228; MDK 8228; ISOX DUAL; ISOX-DUAL; ISOXDUAL

IUPAC/Chemical Name

[3-[4-[2-[5-(Dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-yl]ethyl]phenoxy]propyl]dimethylamine

InChi Key

HCDQWCDANVEBQR-UHFFFAOYSA-N

InChi Code

InChI=1S/C31H41N5O3/c1-23-31(24(2)39-33-23)26-9-12-29-28(22-26)32-30(36(29)16-15-35-17-20-37-21-18-35)13-8-25-6-10-27(11-7-25)38-19-5-14-34(3)4/h6-7,9-12,22H,5,8,13-21H2,1-4H3

SMILES Code

CN(CCCOC1=CC=C(CCC2=NC3=CC(C4=C(C)ON=C4C)=CC=C3N2CCN5CCOCC5)C=C1)C

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 531.70 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

1: Ummarino D. Heart failure: BRD4 inhibition slows HF progression. Nat Rev Cardiol. 2017 Jun 1. doi: 10.1038/nrcardio.2017.86. [Epub ahead of print] PubMed PMID: 28569271. 2: Heinzelmann G, Henriksen NM, Gilson MK. Attach-pull-release calculations of ligand binding and conformational changes on the first BRD4 bromodomain. J Chem Theory Comput. 2017 May 31. doi: 10.1021/acs.jctc.7b00275. [Epub ahead of print] PubMed PMID: 28564537. 3: Amemiya S, Yamaguchi T, Hashimoto Y, Noguchi-Yachide T. Synthesis and evaluation of novel dual BRD4/HDAC inhibitors. Bioorg Med Chem. 2017 May 17. pii: S0968-0896(17)30764-2. doi: 10.1016/j.bmc.2017.04.043. [Epub ahead of print] PubMed PMID: 28549889. 4: Pongas G, Kim MK, Min DJ, House CD, Jordan E, Caplen N, Chakka S, Ohiri J, Kruhlak MJ, Annunziata CM. BRD4 facilitates DNA damage response and represses CBX5/Heterochromatin protein 1 (HP1). Oncotarget. 2017 May 3. doi: 10.18632/oncotarget.17572. [Epub ahead of print] PubMed PMID: 28548929. 5: Wang L, Wu X, Wang R, Yang C, Li Z, Wang C, Zhang F, Yang P. BRD4 inhibition suppresses cell growth, migration and invasion of salivary adenoid cystic carcinoma. Biol Res. 2017 May 25;50(1):19. doi: 10.1186/s40659-017-0124-9. PubMed PMID: 28545522; PubMed Central PMCID: PMC5445403. 6: Bjornstrup LR, Reibel J, Kiss K, Schioedt M. NUT carcinoma presenting in the palate - a case report. APMIS. 2017 May 25. doi: 10.1111/apm.12710. [Epub ahead of print] PubMed PMID: 28544145. 7: Ayoub AM, Hawk LML, Herzig RJ, Jiang J, Wisniewski AJ, Gee CT, Zhao P, Zhu JY, Berndt N, Offei-Addo NK, Scott TG, Qi J, Bradner JE, Ward TR, Schönbrunn E, Georg GI, Pomerantz WCK. BET Bromodomain Inhibitors With One-step Synthesis Discovered from Virtual Screen. J Med Chem. 2017 May 23. doi: 10.1021/acs.jmedchem.6b01336. [Epub ahead of print] PubMed PMID: 28535045. 8: Sakamaki JI, Wilkinson S, Hahn M, Tasdemir N, O'Prey J, Clark W, Hedley A, Nixon C, Long JS, New M, Van Acker T, Tooze SA, Lowe SW, Dikic I, Ryan KM. Bromodomain Protein BRD4 Is a Transcriptional Repressor of Autophagy and Lysosomal Function. Mol Cell. 2017 May 18;66(4):517-532.e9. doi: 10.1016/j.molcel.2017.04.027. PubMed PMID: 28525743; PubMed Central PMCID: PMC5446411. 9: Duan Q, McMahon S, Anand P, Shah H, Thomas S, Salunga HT, Huang Y, Zhang R, Sahadevan A, Lemieux ME, Brown JD, Srivastava D, Bradner JE, McKinsey TA, Haldar SM. BET bromodomain inhibition suppresses innate inflammatory and profibrotic transcriptional networks in heart failure. Sci Transl Med. 2017 May 17;9(390). pii: eaah5084. doi: 10.1126/scitranslmed.aah5084. PubMed PMID: 28515341. 10: Decker TM, Kluge M, Krebs S, Shah N, Blum H, Friedel CC, Eick D. Transcriptome analysis of dominant-negative Brd4 mutants identifies Brd4-specific target genes of small molecule inhibitor JQ1. Sci Rep. 2017 May 10;7(1):1684. doi: 10.1038/s41598-017-01943-6. PubMed PMID: 28490802; PubMed Central PMCID: PMC5431861. 11: Han L, Zhao Q, Liang X, Wang X, Zhang Z, Ma Z, Zhao M, Wang A, Liu S. Ubenimex enhances Brd4 inhibition by suppressing HEXIM1 autophagic degradation and suppressing the Akt pathway in glioma cells. Oncotarget. 2017 Apr 21. doi: 10.18632/oncotarget.17314. [Epub ahead of print] PubMed PMID: 28484091. 12: Alekseyenko AA, Walsh EM, Zee BM, Pakozdi T, Hsi P, Lemieux ME, Dal Cin P, Ince TA, Kharchenko PV, Kuroda MI, French CA. Ectopic protein interactions within BRD4-chromatin complexes drive oncogenic megadomain formation in NUT midline carcinoma. Proc Natl Acad Sci U S A. 2017 May 23;114(21):E4184-E4192. doi: 10.1073/pnas.1702086114. Epub 2017 May 8. PubMed PMID: 28484033. 13: Hu X, Dong SH, Chen J, Zhou XZ, Chen R, Nair S, Lu KP, Chen LF. Prolyl isomerase PIN1 regulates the stability, transcriptional activity and oncogenic potential of BRD4. Oncogene. 2017 May 8. doi: 10.1038/onc.2017.137. [Epub ahead of print] PubMed PMID: 28481868. 14: Tetsu O, McCormick F. ETS-targeted therapy: can it substitute for MEK inhibitors? Clin Transl Med. 2017 Dec;6(1):16. doi: 10.1186/s40169-017-0147-4. Epub 2017 May 2. Review. PubMed PMID: 28474232; PubMed Central PMCID: PMC5418169. 15: Meloche J, Lampron MC, Nadeau V, Maltais M, Potus F, Lambert C, Tremblay E, Vitry G, Breuils-Bonnet S, Boucherat O, Charbonneau E, Provencher S, Paulin R, Bonnet S. Implication of Inflammation and Epigenetic Readers in Coronary Artery Remodeling in Patients With Pulmonary Arterial Hypertension. Arterioscler Thromb Vasc Biol. 2017 May 4. pii: ATVBAHA.117.309156. doi: 10.1161/ATVBAHA.117.309156. [Epub ahead of print] PubMed PMID: 28473439. 16: Su J, Liu X, Zhang S, Yan F, Zhang Q, Chen J. A computational insight into binding modes of inhibitors XD29, XD35, and XD28 to bromodomain-containing protein 4 based on molecular dynamics simulations. J Biomol Struct Dyn. 2017 May 3:1-13. doi: 10.1080/07391102.2017.1317666. [Epub ahead of print] PubMed PMID: 28466681. 17: Zhao Y, Bai L, Liu L, McEachern D, Stuckey JA, Meagher JL, Yang CY, Ran X, Zhou B, Hu Y, Li X, Wen B, Zhao T, Li S, Sun D, Wang S. Structure-Based Discovery of 4-(6-Methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethy lisoxazole (CD161) as a Potent and Orally Bioavailable BET Bromodomain Inhibitor. J Med Chem. 2017 May 11;60(9):3887-3901. doi: 10.1021/acs.jmedchem.7b00193. Epub 2017 May 2. PubMed PMID: 28463487. 18: Bao Y, Wu X, Chen J, Hu X, Zeng F, Cheng J, Jin H, Lin X, Chen LF. Brd4 modulates the innate immune response through Mnk2-eIF4E pathway-dependent translational control of IκBα. Proc Natl Acad Sci U S A. 2017 May 16;114(20):E3993-E4001. doi: 10.1073/pnas.1700109114. Epub 2017 May 1. PubMed PMID: 28461486. 19: Liu Q, Wang J, Zhao Y, Li CI, Stengel KR, Acharya P, Johnston G, Hiebert SW, Shyr Y. Identification of active miRNA promoters from nuclear run-on RNA sequencing. Nucleic Acids Res. 2017 Apr 28. doi: 10.1093/nar/gkx318. [Epub ahead of print] PubMed PMID: 28460090. 20: Targeting CDK7 or BRD4 Blocks Diffuse Intrinsic Pontine Glioma Growth. Cancer Discov. 2017 Apr 28. doi: 10.1158/2159-8290.CD-RW2017-080. [Epub ahead of print] PubMed PMID: 28455397.