S-MGB-234 | CAS#1970223-54-1

MedKoo Cat#: 555456 | Name: S-MGB-234 TFA

Description:

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

S-MGB-234 is a novel Minor Groove Binder that cures animal African trypanosomiasis in an in vivo mouse model. S-MGB-234 has significant potential as novel therapeutic agents for animal African trypanosomiasis.

Chemical Structure

S-MGB-234 TFA

CAS#1970223-54-1(TFA)

Theoretical Analysis

MedKoo Cat#: 555456

Name: S-MGB-234 TFA

CAS#: 1970223-54-1(TFA)

Chemical Formula: C34H34F6N8O8

Exact Mass:

Molecular Weight: 796.68

Elemental Analysis: C, 51.26; H, 4.30; F, 14.31; N, 14.07; O, 16.07

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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Related CAS #

1970223-54-1(TFA) 1970223-53-0 (free base)

Synonym

S-MGB-234; S-MGB234; S-MGB 234; SMGB-234; SMGB234; SMGB 234;

IUPAC/Chemical Name

(E)-N-(5-((5-((3-amino-3-iminopropyl)carbamoyl)-1-methyl-1H-pyrrol-3-yl)carbamoyl)-1-methyl-1H-pyrrol-3-yl)-6-(4-methoxystyryl)nicotinamide bis(2,2,2-trifluoroacetate)

InChi Key

DXYFFMSFQRKJCY-ZDTICIBISA-N

InChi Code

InChI=1S/C30H32N8O4.2C2HF3O2/c1-37-18-23(14-25(37)29(40)33-13-12-27(31)32)36-30(41)26-15-22(17-38(26)2)35-28(39)20-7-9-21(34-16-20)8-4-19-5-10-24(42-3)11-6-19;2*3-2(4,5)1(6)7/h4-11,14-18H,12-13H2,1-3H3,(H3,31,32)(H,33,40)(H,35,39)(H,36,41);2*(H,6,7)/b8-4+;;

SMILES Code

COC1=CC=C(/C=C/C2=CC=C(C(NC3=CN(C)C(C(NC4=CN(C)C(C(NCCC(N)=N)=O)=C4)=O)=C3)=O)C=N2)C=C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

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

Animal African trypanosomiasis (AAT) is a significant socioeconomic burden for sub-Saharan Africa due to its huge impact on livestock health. Existing therapies including those based upon Minor Groove Binders (MGBs), such as the diamidines, which have been used for decades, have now lost efficacy in some places due to the emergence of resistant parasites. Consequently, the need for new chemotherapies is urgent.

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 796.68 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

1: Giordani F, Khalaf AI, Gillingwater K, Munday JC, de Koning HP, Suckling CJ, Barrett MP, Scott FJ. Novel Minor Groove Binders cure animal African trypanosomiasis in an in vivo mouse model. J Med Chem. 2019 Feb 14. doi: 10.1021/acs.jmedchem.8b01847. [Epub ahead of print] PubMed PMID: 30763102.