MS2177

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MedKoo CAT#: 406846

CAS#: Unknown

Description: MS2177 is a potent and selective SETD8 inhibitor. MS2177 has an in vitro IC50 of 1.9 μM (σ = 1.05 μM, n = 4) in ascintillation proximity assay. Binding of MS2177 to SETD8 was confirmed by isothermal titration calorimetry (ITC), having a KD of 1.3 μM. SETD8 (also known as SET8, PR-SET7, or KMT5A) is the only methyltransferase known to catalyze monomethylation of histone H4 lysine 20 (H4K20). SETD8 inhibitors could be valuable anticancer agents.


Chemical Structure

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MS2177
CAS# Unknown

Theoretical Analysis

MedKoo Cat#: 406846
Name: MS2177
CAS#: Unknown
Chemical Formula: C24H38N6O2
Exact Mass: 442.3056
Molecular Weight: 442.608
Elemental Analysis: C, 65.13; H, 8.65; N, 18.99; O, 7.23

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: MS2177; MS-2177; MS 2177.

IUPAC/Chemical Name: 7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-N-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine

InChi Key: UEDAXBZCRLISHC-UHFFFAOYSA-N

InChi Code: InChI=1S/C24H38N6O2/c1-31-21-17-19-20(18-22(21)32-16-9-25)27-24(30-14-7-8-15-30)28-23(19)26-10-3-2-4-11-29-12-5-6-13-29/h17-18H,2-16,25H2,1H3,(H,26,27,28)

SMILES Code: COC1=C(OCCN)C=C(N=C(N2CCCC2)N=C3NCCCCCN4CCCC4)C3=C1

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: >2 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

Preparing Stock Solutions

The following data is based on the product molecular weight 442.608 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.

Recalculate based on batch purity %
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

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Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase
Kyle V. Butler, Anqi Ma, Wenyu Yu, Fengling Li, Wolfram Tempel, Nicolas Babault, Fabio Pittella-Silva, Jason Shao, Junyi Wang, Minkui Luo, Masoud Vedadi, Peter J. Brown, Cheryl H. Arrowsmith, and Jian Jin
Publication Date (Web): November 2, 2016 (Article)
DOI: 10.1021/acs.jmedchem.6b01244