MS012
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MedKoo CAT#: 530508

CAS#: 2089617-83-2 (free base)

Description: MS012 is a Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase. MS012 exhibited stronger binding affinity to GLP (Kd = 46 ± 15 nM) than G9a (Kd = 610 ± 68 nM). MS012 was 13-fold selective for GLP over G9a. G9a-like protein (GLP) and G9a are highly homologous protein lysine methyltransferases (PKMTs) sharing approximately 80% sequence identity in their catalytic domains. GLP and G9a form a heterodimer complex and catalyze mono- and dimethylation of histone H3 lysine 9 and nonhistone substrates.


Chemical Structure

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MS012
CAS# 2089617-83-2 (free base)

Theoretical Analysis

MedKoo Cat#: 530508
Name: MS012
CAS#: 2089617-83-2 (free base)
Chemical Formula: C22H35N5O2
Exact Mass: 401.2791
Molecular Weight: 401.555
Elemental Analysis: C, 65.80; H, 8.79; N, 17.44; O, 7.97

Price and Availability

Size Price Availability Quantity
5.0mg USD 450.0 2 Weeks
25.0mg USD 1250.0 2 Weeks
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Related CAS #: 2089617-83-2 (free base)    

Synonym: MS012; MS-012; MS 012.

IUPAC/Chemical Name: N2-hexyl-6,7-dimethoxy-N4-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine

InChi Key: ZYNUWSFRZCRKSN-UHFFFAOYSA-N

InChi Code: InChI=1S/C22H35N5O2/c1-5-6-7-8-11-23-22-25-18-15-20(29-4)19(28-3)14-17(18)21(26-22)24-16-9-12-27(2)13-10-16/h14-16H,5-13H2,1-4H3,(H2,23,24,25,26)

SMILES Code: COC1=CC2=NC(NCCCCCC)=NC(NC3CCN(C)CC3)=C2C=C1OC

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

Certificate of Analysis:

Safety Data Sheet (SDS):

Preparing Stock Solutions

The following data is based on the product molecular weight 401.555 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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1: Xiong Y, Li F, Babault N, Dong A, Zeng H, Wu H, Chen X, Arrowsmith CH, Brown
PJ, Liu J, Vedadi M, Jin J. Discovery of Potent and Selective Inhibitors for
G9a-Like Protein (GLP) Lysine Methyltransferase. J Med Chem. 2017 Feb 14. doi:
10.1021/acs.jmedchem.6b01645. [Epub ahead of print] PubMed PMID: 28135087.

MS012

5.0mg / USD 450.0