MC180295 | CAS#2237942-08-2 | CDK9 Inhibitor

MedKoo Cat#: 207080 | Name: MC180295

Description:

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

MC180295 is a highly selective CDK9 inhibitor (IC50 = 5 nM). (MC180295 has broad anti-cancer activity in vitro and is effective in in vivo cancer models. Additionally, CDK9 inhibition sensitizes to the immune checkpoint inhibitor α-PD-1 in vivo, making it an excellent target for epigenetic therapy of cancer.

Chemical Structure

MC180295

CAS#2237942-08-2

Theoretical Analysis

MedKoo Cat#: 207080

Name: MC180295

CAS#: 2237942-08-2

Chemical Formula: C17H18N4O3S

Exact Mass: 358.1100

Molecular Weight: 358.42

Elemental Analysis: C, 56.97; H, 5.06; N, 15.63; O, 13.39; S, 8.94

Price and Availability

Size	Price	Availability
50mg	USD 750.00	2 Weeks
100mg	USD 1,250.00	2 Weeks
200mg	USD 1,950.00	2 Weeks
500mg	USD 2,950.00	2 Weeks
1g	USD 3,650.00	2 Weeks
2g	USD 5,860.00	2 Weeks

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Related CAS #

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Synonym

MC180295; MC-180295; MC 180295;

IUPAC/Chemical Name

Rel-(4-amino-2-(((2S)-bicyclo[2.2.1]heptan-2-yl)amino)thiazol-5-yl)(2-nitrophenyl)methanone

InChi Key

JRNXAQINDCOHGS-CBINBANVSA-N

InChi Code

InChI=1S/C17H18N4O3S/c18-16-15(14(22)11-3-1-2-4-13(11)21(23)24)25-17(20-16)19-12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8,18H2,(H,19,20)/t9?,10?,12-/m0/s1

SMILES Code

O=C(C1=C(N)N=C(N[C@@H]2C(C3)CCC3C2)S1)C4=CC=CC=C4[N+]([O-])=O

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

>3 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:

MC180295 ((rel)-MC180295) is a potent and selective CDK9-Cyclin T1 inhibitor, with an IC50 of 5 nM, at least 22-fold more selective for CDK9 over other CDKs. MC180295 also inhibits GSK-3α and GSK-3β.

In vitro activity:

MC180295 inhibited cell growth of the EBVaGC cell lines YCCEL1 and SNU719 in a dose-dependent manner. In a cell cycle analysis, growth arrest and apoptosis were observed in both YCCEL1 and SNU719 cells treated with MC180295. MKN28 cells infected with EBV were sensitive to MC180295 and showed more significant inhibition of cell growth compared to controls without EBV infection. Reference: Int J Mol Sci. 2022 Sep 13;23(18):10597. https://pubmed.ncbi.nlm.nih.gov/36142506/

In vivo activity:

Lastly, this study tested in vivo effects of MC180295 and the structurally related CDK9 inhibitor, SNS032. This study subcutaneously injected SW48 into NOD.Cg-Prkdcscid Il2rgtm1Wjl/SzJ (NSG) mice and treated them every other day (qod) for 10 weeks at 20mg/kg. This study found that tumors grew slower after drug treatment and MC180295 improved mouse survival (Figure 5E) without causing overt toxicity as measured by body weight (Figure S5D). Reference: Cell. 2018 Nov 15;175(5):1244-1258.e26. https://pubmed.ncbi.nlm.nih.gov/30454645/

	Solvent	mg/mL	mM
Solubility
	DMSO	86.0	239.94
	Ethanol	72.0	200.88

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 358.42 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. Fujii T, Nishikawa J, Fukuda S, Kubota N, Nojima J, Fujisawa K, Ogawa R, Goto A, Hamabe K, Hashimoto S, Wai AP, Iizasa H, Yoshiyama H, Sakai K, Suehiro Y, Yamasaki T, Takami T. MC180295 Inhibited Epstein-Barr Virus-Associated Gastric Carcinoma Cell Growth by Suppressing DNA Repair and the Cell Cycle. Int J Mol Sci. 2022 Sep 13;23(18):10597. doi: 10.3390/ijms231810597. PMID: 36142506; PMCID: PMC9500863. 2. Zhang H, Pandey S, Travers M, Sun H, Morton G, Madzo J, Chung W, Khowsathit J, Perez-Leal O, Barrero CA, Merali C, Okamoto Y, Sato T, Pan J, Garriga J, Bhanu NV, Simithy J, Patel B, Huang J, Raynal NJ, Garcia BA, Jacobson MA, Kadoch C, Merali S, Zhang Y, Childers W, Abou-Gharbia M, Karanicolas J, Baylin SB, Zahnow CA, Jelinek J, Graña X, Issa JJ. Targeting CDK9 Reactivates Epigenetically Silenced Genes in Cancer. Cell. 2018 Nov 15;175(5):1244-1258.e26. doi: 10.1016/j.cell.2018.09.051. Epub 2018 Oct 25. PMID: 30454645; PMCID: PMC6247954.

In vitro protocol:

Fujii T, Nishikawa J, Fukuda S, Kubota N, Nojima J, Fujisawa K, Ogawa R, Goto A, Hamabe K, Hashimoto S, Wai AP, Iizasa H, Yoshiyama H, Sakai K, Suehiro Y, Yamasaki T, Takami T. MC180295 Inhibited Epstein-Barr Virus-Associated Gastric Carcinoma Cell Growth by Suppressing DNA Repair and the Cell Cycle. Int J Mol Sci. 2022 Sep 13;23(18):10597. doi: 10.3390/ijms231810597. PMID: 36142506; PMCID: PMC9500863.

In vivo protocol:

Zhang H, Pandey S, Travers M, Sun H, Morton G, Madzo J, Chung W, Khowsathit J, Perez-Leal O, Barrero CA, Merali C, Okamoto Y, Sato T, Pan J, Garriga J, Bhanu NV, Simithy J, Patel B, Huang J, Raynal NJ, Garcia BA, Jacobson MA, Kadoch C, Merali S, Zhang Y, Childers W, Abou-Gharbia M, Karanicolas J, Baylin SB, Zahnow CA, Jelinek J, Graña X, Issa JJ. Targeting CDK9 Reactivates Epigenetically Silenced Genes in Cancer. Cell. 2018 Nov 15;175(5):1244-1258.e26. doi: 10.1016/j.cell.2018.09.051. Epub 2018 Oct 25. PMID: 30454645; PMCID: PMC6247954.

1: Zhang H, Pandey S, Travers M, Sun H, Morton G, Madzo J, Chung W, Khowsathit J, Perez-Leal O, Barrero CA, Merali C, Okamoto Y, Sato T, Pan J, Garriga J, Bhanu NV, Simithy J, Patel B, Huang J, Raynal NJ, Garcia BA, Jacobson MA, Kadoch C, Merali S, Zhang Y, Childers W, Abou-Gharbia M, Karanicolas J, Baylin SB, Zahnow CA, Jelinek J, Graña X, Issa JJ. Targeting CDK9 Reactivates Epigenetically Silenced Genes in Cancer. Cell. 2018 Nov 15;175(5):1244-1258.e26. doi: 10.1016/j.cell.2018.09.051. Epub 2018 Oct 25. PubMed PMID: 30454645; PubMed Central PMCID: PMC6247954.