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| 25mg |
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| 50mg |
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| 100mg |
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Purity: ≥98%
(rel)-MC180295 is a novel, potent and selective CDK9-Cyclin T1 inhibitor with an IC50 of 5 nM and with broad anti-cancer activity in vitro. RNAPII pause release is a mechanism by which cyclin-dependent kinase 9 (CDK9) stimulates transcriptional elongation. In in vivo cancer models, (rel)-MC180295 is efficacious and exhibits at least a 22-fold increase in CDK9 selectivity over other CDKs. Also inhibiting GSK-3α and GSK-3β is (rel)-MC180295. The anti-tumor effect of (rel)-MC180295 is strong. Highly selective CDK9 inhibitor (rel)-MC180295 is effective in in vivo cancer models and exhibits broad anti-cancer activity in vitro. Furthermore, in vivo sensitization to the immune checkpoint inhibitor α-PD-1 is brought about by CDK9 inhibition, which makes it a prime candidate for epigenetic cancer therapy.
| Targets |
CDK9- Cyclin T1 (IC50 = 5 nM); CDK1-Cyclin B (IC50 = 138 nM); cdk2-cyclin A (IC50 = 233 nM); cdk2-cyclin E (IC50 = 367 nM); CDK3-Cyclin E (IC50 = 399 nM); CDK4-Cyclin D (IC50 = 112 nM); cdk5-p35 (IC50 = 159 nM); cdk5-p25 (IC50 = 186 nM); cdk6-cyclin D3 (IC50 = 712 nM); CDK7-CycH/MAT1 (IC50 = 555 nM)
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| ln Vitro |
MC180295 is a highly effective and selective CDK9-Cyclin T1 inhibitor. With an IC50 of 5 nM, it exhibits at least a 22-fold increase in CDK9 selectivity over other CDKs, including CDK1-Cyclin B (IC50, 138 nM), CDK2-Cyclin A (IC50, 233 nM), CDK2-Cyclin E (IC50, 367 nM), CDK3-Cyclin E (IC50, 399 nM), CDK4-Cyclin D (IC50, 112 nM), CDK5-P35 (IC50, 159 nM), CDK5-P25 (IC50, 186 nM), CDK6-Cyclin D3 (IC50, 712 nM), and CDK7-CycH/MAT1 (IC50, 555nM). Moreover, MC180295 inhibits GSK-3α and GSK-3β[1].
MC180295 (500 nM) targets CDK9 to reactivate genes that have been epigenetically silenced while leaving DNA methylation alone[1].
MC180295 (0.1 μM) prevents the growth of cancer cells[1].
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| ln Vivo |
MC180295 (20 mg/kg, i.p., qod) shows no inhibitory action against human T cell growth in vivo, but inhibits significant anti-tumor activity in mice carrying SW48 cells[1].
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| Animal Protocol |
NSG mice
5-20mg/kg IP |
| References |
| Molecular Formula |
C17H18N4O3S
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|---|---|
| Molecular Weight |
358.414822101593
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| Exact Mass |
358.11
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| Elemental Analysis |
C, 56.97; H, 5.06; N, 15.63; O, 13.39; S, 8.94
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| CAS # |
2237942-08-2
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| Related CAS # |
2237942-08-2
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| PubChem CID |
137333456
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| Appearance |
White to off-white solid powder
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| LogP |
4.7
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
25
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| Complexity |
543
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| Defined Atom Stereocenter Count |
3
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| SMILES |
C1C[C@H]2C[C@@H]1C[C@@H]2NC3=NC(=C(S3)C(=O)C4=CC=CC=C4[N+](=O)[O-])N
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| InChi Key |
JRNXAQINDCOHGS-SCVCMEIPSA-N
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| 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+/m1/s1
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| Chemical Name |
[4-amino-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone
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| Synonyms |
MC180295; MC 180295; MC-180295
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: 72~100 mg/mL (200.9~279.0 mM)
Ethanol: ~72 mg/mL (200.9 mM) |
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7901 mL | 13.9505 mL | 27.9010 mL | |
| 5 mM | 0.5580 mL | 2.7901 mL | 5.5802 mL | |
| 10 mM | 0.2790 mL | 1.3951 mL | 2.7901 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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