MS31 free base
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MedKoo CAT#: 462460

CAS#: 2366264-12-0 (free base)

Description: MS31 is a potent, highly affinity and selective fragment-like methyllysine reader protein spindling 1 (SPIN1) inhibitor. MS31 potently inhibited binding of trimethyllysine-containing peptides to SPIN1, displayed high binding affinity, was highly selective for SPIN1 over other epigenetic readers and writers, directly engaged SPIN1 in cells, and was not toxic to nontumorigenic cells. The crystal structure of the SPIN1-MS31 complex indicated that it selectively binds tudor domain II of SPIN1.


Chemical Structure

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MS31 free base
CAS# 2366264-12-0 (free base)

Theoretical Analysis

MedKoo Cat#: 462460
Name: MS31 free base
CAS#: 2366264-12-0 (free base)
Chemical Formula: C20H27N3O2
Exact Mass: 341.21
Molecular Weight: 341.455
Elemental Analysis: C, 70.35; H, 7.97; N, 12.31; O, 9.37

Price and Availability

Size Price Availability Quantity
5mg USD 630 2 Weeks
10mg USD 940 2 Weeks
50mg USD 2100 2 Weeks
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Related CAS #: 2748239-18-9 (HCl)   2366264-12-0 (free base)    

Synonym: MS 31; MS-31; MS31;

IUPAC/Chemical Name: (5-(3-(isoindolin-2-yl)propoxy)-4-methoxy-1,3-phenylene)dimethanamine

InChi Key: XQQZNYFJATXWON-UHFFFAOYSA-N

InChi Code: InChI=1S/C20H27N3O2/c1-24-20-18(12-22)9-15(11-21)10-19(20)25-8-4-7-23-13-16-5-2-3-6-17(16)14-23/h2-3,5-6,9-10H,4,7-8,11-14,21-22H2,1H3

SMILES Code: NCC1=C(OC)C(OCCCN2CC(C=CC=C3)=C3C2)=CC(CN)=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: >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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 341.46 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Xiong Y, Greschik H, Johansson C, et al. Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1). J Med Chem. 2019;62(20):8996-9007. doi:10.1021/acs.jmedchem.9b00522