Mps1-IN-2 | CAS# 1228817-38-6 | ATP-competitive inhibitor

MedKoo Cat#: 574798 | Name: Mps1-IN-2

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Description:

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

Mps1-IN-2 is an ATP-competitive inhibitor of the checkpoint kinase Mps1.

Chemical Structure

Mps1-IN-2

CAS#1228817-38-6

Theoretical Analysis

MedKoo Cat#: 574798

Name: Mps1-IN-2

CAS#: 1228817-38-6

Chemical Formula: C26H36N6O3

Exact Mass: 480.2849

Molecular Weight: 480.61

Elemental Analysis: C, 64.98; H, 7.55; N, 17.49; O, 9.99

Price and Availability

Size	Price	Availability
5mg	USD 290.00	2 Weeks
10mg	USD 450.00	2 Weeks
25mg	USD 875.00	2 Weeks

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Related CAS #

No Data

Synonym

Mps1-IN-2

IUPAC/Chemical Name

9-cyclopentyl-2-[[2-ethoxy-4-(4-hydroxy-1-piperidinyl)phenyl]amino]-5,7,8,9-tetrahydro-5-methyl-6H-pyrimido[4,5-b][1,4]diazepin-6-one

InChi Key

WELBJLUKWAJOQV-UHFFFAOYSA-N

InChi Code

InChI=1S/C26H36N6O3/c1-3-35-23-16-19(31-13-10-20(33)11-14-31)8-9-21(23)28-26-27-17-22-25(29-26)32(18-6-4-5-7-18)15-12-24(34)30(22)2/h8-9,16-18,20,33H,3-7,10-15H2,1-2H3,(H,27,28,29)

SMILES Code

OC1CCN(C2=CC(OCC)=C(NC3=NC=C(N(C)C(CCN4C5CCCC5)=O)C4=N3)C=C2)CC1

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-2 is a potent, selective and ATP-competitive dual Mps1/Plk1 inhibitor, with an IC50 and a Kd of 145 nM and 12 nM for Mps1 and a Kd of 61 nM for Plk1.

In vitro activity:

TBD

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	DMF	1.0	2.08
	DMF:PBS (pH 7.2) (1:3)	0.3	0.52
	DMSO	7.2	14.91

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 480.61 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:

TBD

In vitro protocol:

TBD

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. 6(5), 359-368 (2010).