MedKoo Cat#: 533287 | Name: MS31 HCl

Description:

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

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

MS31 HCl
MS31 HCl
CAS#2748239-18-9 (HCl)

Theoretical Analysis

MedKoo Cat#: 533287

Name: MS31 HCl

CAS#: 2748239-18-9 (HCl)

Chemical Formula: C20H30Cl3N3O2

Exact Mass: 341.2103

Molecular Weight: 450.83

Elemental Analysis: C, 53.28; H, 6.71; Cl, 23.59; N, 9.32; O, 7.10

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Synonym
MS31; M-S31; MS 31 trihydrochloride
IUPAC/Chemical Name
(5-(3-(Isoindolin-2-yl)propoxy)-4-methoxy-1,3-phenylene)dimethanamine trihydrochloride
InChi Key
ACLRXRSPMJPOKN-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H27N3O2.3ClH/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;3*1H
SMILES Code
COC1=C(OCCCN2CC3=C(C=CC=C3)C2)C=C(CN)C=C1CN.[H]Cl.[H]Cl.[H]Cl
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

Preparing Stock Solutions

The following data is based on the product molecular weight 450.83 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