MDK3597 | CAS#1505453-59-7 | BET bromodomain inhibitor

MDK3597
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 407822

CAS#: 1505453-59-7

Description: MDK3597, is a potent BET bromodomain inhibitor. MDK3597 has CAS#1505453-59-7. The last 4 digits are used for its name for the convenience of communication. BET inhibitors were initially shown to have efficacy in hematologic malignancies. The bromodomain and extraterminal (BET) family proteins associate with transcriptional activation through interaction with acetylated chromatin, therefore playing a key role as epigenetic regulators. BET proteins serve to regulate the expression of importance oncogenes, including those involved in apoptosis as well as cell cycle progression.

Chemical Structure

MDK3597

CAS# 1505453-59-7

Instruction

Theoretical Analysis

MedKoo Cat#: 407822
Name: MDK3597
CAS#: 1505453-59-7
Chemical Formula: C24H20ClN5O2
Exact Mass: 445.13
Molecular Weight: 445.910
Elemental Analysis: C, 64.65; H, 4.52; Cl, 7.95; N, 15.71; O, 7.18

Price and Availability

Size	Price	Availability
1g	USD 3650	2 weeks
2g	USD 5750	2 weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: MDK3597; MDK-3597; MDK 3597; BET bromodomain inhibitor.

IUPAC/Chemical Name: (S)-2-(6-(4-chlorophenyl)-1-methyl-8-(1-methyl-1H-pyrazol-4-yl)-4H-benzo[c]isoxazolo[4,5-e]azepin-4-yl)acetamide

InChi Key: QFLGNZXBWIQDLQ-FQEVSTJZSA-N

InChi Code: InChI=1S/C24H20ClN5O2/c1-13-22-18-8-5-15(16-11-27-30(2)12-16)9-19(18)23(14-3-6-17(25)7-4-14)28-20(10-21(26)31)24(22)32-29-13/h3-9,11-12,20H,10H2,1-2H3,(H2,26,31)/t20-/m0/s1

SMILES Code: O=C(N)C[C@H]1C(ON=C2C)=C2C3=CC=C(C4=CN(C)N=C4)C=C3C(C5=CC=C(Cl)C=C5)=N1

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

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 445.91 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:
In vitro protocol:
In vivo protocol:

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1: Jung M, Gelato KA, Fernández-Montalván A, Siegel S, Haendler B. Targeting BET bromodomains for cancer treatment. Epigenomics. 2015;7(3):487-501. doi: 10.2217/epi.14.91. Review. PubMed PMID: 26077433.

2: Fu LL, Tian M, Li X, Li JJ, Huang J, Ouyang L, Zhang Y, Liu B. Inhibition of BET bromodomains as a therapeutic strategy for cancer drug discovery. Oncotarget. 2015 Mar 20;6(8):5501-16. Review. PubMed PMID: 25849938; PubMed Central PMCID: PMC4467383.

3: Garnier JM, Sharp PP, Burns CJ. BET bromodomain inhibitors: a patent review. Expert Opin Ther Pat. 2014 Feb;24(2):185-99. doi: 10.1517/13543776.2014.859244. Epub 2013 Nov 22. Review. PubMed PMID: 24261714.

4: Lochrin SE, Price DK, Figg WD. BET bromodomain inhibitors--a novel epigenetic approach in castration-resistant prostate cancer. Cancer Biol Ther. 2014;15(12):1583-5. doi: 10.4161/15384047.2014.962297. Review. PubMed PMID: 25535892; PubMed Central PMCID: PMC4622075.

5: Chaidos A, Caputo V, Karadimitris A. Inhibition of bromodomain and extra-terminal proteins (BET) as a potential therapeutic approach in haematological malignancies: emerging preclinical and clinical evidence. Ther Adv Hematol. 2015 Jun;6(3):128-41. doi: 10.1177/2040620715576662. Review. PubMed PMID: 26137204; PubMed Central PMCID: PMC4480520.

6: Basheer F, Huntly BJ. BET bromodomain inhibitors in leukemia. Exp Hematol. 2015 Aug;43(8):718-31. doi: 10.1016/j.exphem.2015.06.004. Epub 2015 Jul 9. Review. PubMed PMID: 26163798.

7: Theodoulou NH, Tomkinson NC, Prinjha RK, Humphreys PG. Progress in the Development of non-BET Bromodomain Chemical Probes. ChemMedChem. 2016 Mar 4;11(5):477-87. doi: 10.1002/cmdc.201500540. Epub 2016 Jan 8. Review. PubMed PMID: 26749027.

8: Noguchi-Yachide T. BET Bromodomain as a Target of Epigenetic Therapy. Chem Pharm Bull (Tokyo). 2016;64(6):540-7. doi: 10.1248/cpb.c16-00225. Review. PubMed PMID: 27250788.

9: Gallenkamp D, Gelato KA, Haendler B, Weinmann H. Bromodomains and their pharmacological inhibitors. ChemMedChem. 2014 Mar;9(3):438-64. doi: 10.1002/cmdc.201300434. Epub 2014 Feb 4. Review. PubMed PMID: 24497428.

10: Ferri E, Petosa C, McKenna CE. Bromodomains: Structure, function and pharmacology of inhibition. Biochem Pharmacol. 2016 Apr 15;106:1-18. doi: 10.1016/j.bcp.2015.12.005. Epub 2015 Dec 18. Review. PubMed PMID: 26707800.

11: Sahai V, Redig AJ, Collier KA, Eckerdt FD, Munshi HG. Targeting BET bromodomain proteins in solid tumors. Oncotarget. 2016 Aug 16;7(33):53997-54009. doi: 10.18632/oncotarget.9804. Review. PubMed PMID: 27283767; PubMed Central PMCID: PMC5288238.

12: Taniguchi Y. The Bromodomain and Extra-Terminal Domain (BET) Family: Functional Anatomy of BET Paralogous Proteins. Int J Mol Sci. 2016 Nov 7;17(11). pii: E1849. Review. PubMed PMID: 27827996; PubMed Central PMCID: PMC5133849.

13: Padmanabhan B, Mathur S, Manjula R, Tripathi S. Bromodomain and extra-terminal (BET) family proteins: New therapeutic targets in major diseases. J Biosci. 2016 Jun;41(2):295-311. Review. PubMed PMID: 27240990.

14: Filippakopoulos P, Knapp S. Targeting bromodomains: epigenetic readers of lysine acetylation. Nat Rev Drug Discov. 2014 May;13(5):337-56. doi: 10.1038/nrd4286. Epub 2014 Apr 22. Review. PubMed PMID: 24751816.

15: Wadhwa E, Nicolaides T. Bromodomain Inhibitor Review: Bromodomain and Extra-terminal Family Protein Inhibitors as a Potential New Therapy in Central Nervous System Tumors. Cureus. 2016 May 21;8(5):e620. doi: 10.7759/cureus.620. Review. PubMed PMID: 27382528; PubMed Central PMCID: PMC4917374.

16: Berkovits BD, Wolgemuth DJ. The role of the double bromodomain-containing BET genes during mammalian spermatogenesis. Curr Top Dev Biol. 2013;102:293-326. doi: 10.1016/B978-0-12-416024-8.00011-8. Review. PubMed PMID: 23287038; PubMed Central PMCID: PMC3918955.

17: Brand M, Measures AR, Wilson BG, Cortopassi WA, Alexander R, Höss M, Hewings DS, Rooney TP, Paton RS, Conway SJ. Small molecule inhibitors of bromodomain-acetyl-lysine interactions. ACS Chem Biol. 2015 Jan 16;10(1):22-39. doi: 10.1021/cb500996u. Review. Erratum in: ACS Chem Biol. 2016 Apr 15;11(4):1148. Measures, Angelina M [corrected to Measures, Angelina R]. PubMed PMID: 25549280.

18: French CA. Small-Molecule Targeting of BET Proteins in Cancer. Adv Cancer Res. 2016;131:21-58. doi: 10.1016/bs.acr.2016.04.001. Epub 2016 May 31. Review. PubMed PMID: 27451123.

19: Ghoshal A, Yugandhar D, Srivastava AK. BET inhibitors in cancer therapeutics: a patent review. Expert Opin Ther Pat. 2016;26(4):505-22. doi: 10.1517/13543776.2016.1159299. Epub 2016 Mar 15. Review. PubMed PMID: 26924192.

20: Andrieu G, Belkina AC, Denis GV. Clinical trials for BET inhibitors run ahead of the science. Drug Discov Today Technol. 2016 Mar;19:45-50. doi: 10.1016/j.ddtec.2016.06.004. Epub 2016 Jul 21. Review. PubMed PMID: 27769357; PubMed Central PMCID: PMC5116321.

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