Mps1-IN-1 | CAS#1125593-20-5 | kinase inhibitor

MedKoo Cat#: 462486 | Name: Mps1-IN-1

Featured

Description:

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

Mps1-IN-1 is a potent, selective and ATP-competitive Mps1 kinase inhibitor.

Chemical Structure

Mps1-IN-1

CAS#1125593-20-5

Theoretical Analysis

MedKoo Cat#: 462486

Name: Mps1-IN-1

CAS#: 1125593-20-5

Chemical Formula: C28H33N5O4S

Exact Mass: 535.2253

Molecular Weight: 535.66

Elemental Analysis: C, 62.78; H, 6.21; N, 13.07; O, 11.95; S, 5.99

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 325.00	2 Weeks
10mg	USD 600.00	2 Weeks

Bulk Inquiry

Buy Now

Add to Cart

Related CAS #

No Data

Synonym

Mps1-IN-1; Mps1 IN 1; Mps1 IN-1; Mps1-IN 1

IUPAC/Chemical Name

1-(4-((4-((2-(isopropylsulfonyl)phenyl)amino)-1H-pyrrolo[2,3-b]pyridin-6-yl)amino)-3-methoxyphenyl)piperidin-4-ol

InChi Key

NMJMRSQTDLRCRQ-UHFFFAOYSA-N

InChi Code

InChI=1S/C28H33N5O4S/c1-18(2)38(35,36)26-7-5-4-6-23(26)30-24-17-27(32-28-21(24)10-13-29-28)31-22-9-8-19(16-25(22)37-3)33-14-11-20(34)12-15-33/h4-10,13,16-18,20,34H,11-12,14-15H2,1-3H3,(H3,29,30,31,32)

SMILES Code

O=S(C(C=CC=C1)=C1NC2=CC(NC3=C(OC)C=C(N4CCC(O)CC4)C=C3)=NC5=C2C=CN5)(C(C)C)=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:

Mps1-IN-1 is a potent, selective and ATP-competitive Mps1 kinase inhibitor, with an IC50 and a Kd of 367 nM and 27 nM.

In vitro activity:

As Mps1 function has been implicated in numerous phases of the cell cycle, the development of a potent, selective small-molecule inhibitor of Mps1 should facilitate dissection of Mps1-related biology. This study describes the cellular effects and Mps1 cocrystal structures of new, selective small-molecule inhibitors of Mps1. Consistent with RNAi studies, chemical inhibition of Mps1 leads to defects in Mad1 and Mad2 establishment at unattached kinetochores, decreased Aurora B kinase activity, premature mitotic exit and gross aneuploidy, without any evidence of centrosome duplication defects. However, in U2OS cells having extra centrosomes (an abnormality found in some cancers), Mps1 inhibition increases the frequency of multipolar mitoses. Lastly, Mps1 inhibitor treatment resulted in a decrease in cancer cell viability. Reference: Nat Chem Biol. 2010 May;6(5):359-68. https://pubmed.ncbi.nlm.nih.gov/20383151/

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	DMF	50.0	93.34
	DMF:PBS (pH 7.2) (1:9)	0.1	0.19
	DMSO	34.5	64.41

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 535.66 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:

Kwiatkowski N, Jelluma N, Filippakopoulos P, Soundararajan M, Manak MS, Kwon M, Choi HG, Sim T, Deveraux QL, Rottmann S, Pellman D, Shah JV, Kops GJ, Knapp S, Gray NS. Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function. Nat Chem Biol. 2010 May;6(5):359-68. doi: 10.1038/nchembio.345. Epub 2010 Apr 11. PMID: 20383151; PMCID: PMC2857554.

In vitro protocol:

In vivo protocol:

TBD

1: Kwiatkowski N, Jelluma N, Filippakopoulos P, et al. Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function. Nat Chem Biol. 2010;6(5):359-368. doi:10.1038/nchembio.345