3MB-PP1 | CAS#956025-83-5 | Plk1 inhibitor

MedKoo Cat#: 471210 | Name: 3MB-PP1

Description:

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

3MB-PP1 is a Polo-like kinase 1 (Plk1) inhibitor (IC50 , 2.0 μM). MB-PP1 effectively inhibits the activity of an engineered analog-sensitive mutant of ZIPK (ZIPK-AS) in vitro. This inhibition allows for precise modulation of ZIPK signaling pathways, facilitating the investigation of ZIPK's biological functions.

Chemical Structure

3MB-PP1

CAS#956025-83-5

Theoretical Analysis

MedKoo Cat#: 471210

Name: 3MB-PP1

CAS#: 956025-83-5

Chemical Formula: C17H21N5

Exact Mass: 295.1797

Molecular Weight: 295.39

Elemental Analysis: C, 69.12; H, 7.17; N, 23.71

Price and Availability

Size	Price	Availability
5mg	USD 150.00	Ready to ship
10mg	USD 250.00	Ready to ship
25mg	USD 450.00	Ready to ship
50mg	USD 750.00	Ready to ship
100mg	USD 1,250.00	Ready to ship
200mg	USD 1,950.00	Ready to ship
500mg	USD 2,950.00	Ready to ship
1g	USD 4,250.00	Ready to ship
2g	USD 6,250.00	2 Weeks

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Synonym

3MB-PP1, 3-MB-PP1, 3 MB-PP1; 3-MB-PP1;

IUPAC/Chemical Name

1-(1,1-dimethylethyl)-3-[(3-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

InChi Key

FYCOTGCSHZKHPR-UHFFFAOYSA-N

InChi Code

InChI=1S/C17H21N5/c1-11-6-5-7-12(8-11)9-13-14-15(18)19-10-20-16(14)22(21-13)17(2,3)4/h5-8,10H,9H2,1-4H3,(H2,18,19,20)

SMILES Code

NC1=C2C(N(C(C)(C)C)N=C2CC3=CC=CC(C)=C3)=NC=N1

Appearance

To be determined

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

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

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

Certificate of Analysis

View CoA: current batch, Lot#A25T03K03

QC Data

View QC data: current batch, Lot#A25T03K03

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

Biological target:

3MB-PP1 is part of a class of "analog-sensitive" kinase inhibitors, designed to target specific kinase activities.

In vitro activity:

In this study, 3MB-PP1 was likely applied to cultured cells to investigate how blocking CDK8 affects the glycolytic pathway. The researchers would have measured changes in glycolytic enzyme activity, glucose uptake, and lactate production to assess the impact of CDK8 inhibition on metabolic processes. Galbraith MD, Andrysik Z, Pandey A, Hoh M, Bonner EA, Hill AA, Sullivan KD, Espinosa JM. CDK8 Kinase Activity Promotes Glycolysis. Cell Rep. 2017 Nov 7;21(6):1495-1506. Al-Ghabkari A, Moffat LD, Walsh MP, MacDonald JA. Validation of chemical genetics for the study of zipper-interacting protein kinase signaling. Proteins. 2018 Nov;86(11):1211-1217.

In vivo activity:

Mutations in the TgMAPK1 gene in Toxoplasma gondii lead to resistance to 1NM-PP1, an analog-sensitive kinase inhibitor, similar in function to 3MB-PP1. The researchers investigated whether specific mutations in TgMAPK1 (a mitogen-activated protein kinase in T. gondii) alter its susceptibility to the inhibitor, providing insight into the mechanisms of drug resistance in this protozoan parasite. Sugi T, Kobayashi K, Takemae H, Gong H, Ishiwa A, Murakoshi F, Recuenco FC, Iwanaga T, Horimoto T, Akashi H, Kato K. Identification of mutations in TgMAPK1 of Toxoplasma gondii conferring resistance to 1NM-PP1. Int J Parasitol Drugs Drug Resist. 2013 May 18;3:93-101. Lozano-Núñez A, Ikeda KN, Sauer T, de Graffenried CL. An analogue-sensitive approach identifies basal body rotation and flagellum attachment zone elongation as key functions of PLK in Trypanosoma brucei. Mol Biol Cell. 2013 May;24(9):1321-33. doi: 10.1091/mbc.E12-12-0846. Epub 2013 Feb 27. PMID: 23447704; PMCID: PMC3639044.

	Solvent	mg/mL	mM
Solubility
	DMSO	100.0	338.55

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 295.39 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. Galbraith MD, Andrysik Z, Pandey A, Hoh M, Bonner EA, Hill AA, Sullivan KD, Espinosa JM. CDK8 Kinase Activity Promotes Glycolysis. Cell Rep. 2017 Nov 7;21(6):1495-1506. doi: 10.1016/j.celrep.2017.10.058. PMID: 29117556; PMCID: PMC5726794. 2. Al-Ghabkari A, Moffat LD, Walsh MP, MacDonald JA. Validation of chemical genetics for the study of zipper-interacting protein kinase signaling. Proteins. 2018 Nov;86(11):1211-1217. doi: 10.1002/prot.25607. Epub 2018 Nov 1. PMID: 30381843. 3.Sugi T, Kobayashi K, Takemae H, Gong H, Ishiwa A, Murakoshi F, Recuenco FC, Iwanaga T, Horimoto T, Akashi H, Kato K. Identification of mutations in TgMAPK1 of Toxoplasma gondii conferring resistance to 1NM-PP1. Int J Parasitol Drugs Drug Resist. 2013 May 18;3:93-101. doi: 10.1016/j.ijpddr.2013.04.001. PMID: 24533298; PMCID: PMC3862444. 4.Lozano-Núñez A, Ikeda KN, Sauer T, de Graffenried CL. An analogue-sensitive approach identifies basal body rotation and flagellum attachment zone elongation as key functions of PLK in Trypanosoma brucei. Mol Biol Cell. 2013 May;24(9):1321-33. doi: 10.1091/mbc.E12-12-0846. Epub 2013 Feb 27. PMID: 23447704; PMCID: PMC3639044.

In vitro protocol:

In vivo protocol:

1. Lozano-Núñez A, Ikeda KN, Sauer T, de Graffenried CL. An analogue-sensitive approach identifies basal body rotation and flagellum attachment zone elongation as key functions of PLK in Trypanosoma brucei. Mol Biol Cell. 2013 May;24(9):1321-33. doi: 10.1091/mbc.E12-12-0846. Epub 2013 Feb 27. PMID: 23447704; PMCID: PMC3639044. 2. Sugi T, Kobayashi K, Takemae H, Gong H, Ishiwa A, Murakoshi F, Recuenco FC, Iwanaga T, Horimoto T, Akashi H, Kato K. Identification of mutations in TgMAPK1 of Toxoplasma gondii conferring resistance to 1NM-PP1. Int J Parasitol Drugs Drug Resist. 2013 May 18;3:93-101. doi: 10.1016/j.ijpddr.2013.04.001. PMID: 24533298; PMCID: PMC3862444.

1. Burkard ME, Santamaria A, Jallepalli PV. Enabling and disabling polo-like kinase 1 inhibition through chemical genetics. ACS Chem Biol. 2012 Jun 15;7(6):978-81. doi: 10.1021/cb200551p. Epub 2012 Mar 20. PMID: 22422077; PMCID: PMC3376236. 2. Hollomon JM, Liu Z, Rusin SF, Jenkins NP, Smith AK, Koeppen K, Kettenbach AN, Myers LC, Hogan DA. The Candida albicans Cdk8-dependent phosphoproteome reveals repression of hyphal growth through a Flo8-dependent pathway. PLoS Genet. 2022 Jan 4;18(1):e1009622. doi: 10.1371/journal.pgen.1009622. PMID: 34982775; PMCID: PMC8769334. 3. Al-Ghabkari A, Moffat LD, Walsh MP, MacDonald JA. Validation of chemical genetics for the study of zipper-interacting protein kinase signaling. Proteins. 2018 Nov;86(11):1211-1217. doi: 10.1002/prot.25607. Epub 2018 Nov 1. PMID: 30381843.