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MedKoo Cat#: 563885 | Name: MMV019313

Description:

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

MMV019313 is a highly specific inhibitor of the bifunctional Farnesyl/Geranylgeranyl Diphosphate Synthase (FPPS/GGPPS).

Chemical Structure

MMV019313
CAS#902630-14-2

Theoretical Analysis

MedKoo Cat#: 563885

Name: MMV019313

CAS#: 902630-14-2

Chemical Formula: C22H27N3O2S

Exact Mass: 397.1824

Molecular Weight: 397.54

Elemental Analysis: C, 66.47; H, 6.85; N, 10.57; O, 8.05; S, 8.06

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 #
No Data
Synonym
MMV019313; MMV-019313; MMV 019313
IUPAC/Chemical Name
N-(3-(Azepan-1-yl)propyl)-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
InChi Key
NVFMMXVDSJFVNO-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H27N3O2S/c1-24-18-10-5-4-9-16(18)20-17(22(24)27)15-19(28-20)21(26)23-11-8-14-25-12-6-2-3-7-13-25/h4-5,9-10,15H,2-3,6-8,11-14H2,1H3,(H,23,26)
SMILES Code
O=C(C(S1)=CC2=C1C3=C(N(C)C2=O)C=CC=C3)NCCCN4CCCCCC4
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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 397.54 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
1: Gisselberg JE, Herrera Z, Orchard LM, Llinás M, Yeh E. Specific Inhibition of the Bifunctional Farnesyl/Geranylgeranyl Diphosphate Synthase in Malaria Parasites via a New Small-Molecule Binding Site. Cell Chem Biol. 2018 Feb 15;25(2):185-193.e5. doi: 10.1016/j.chembiol.2017.11.010. Epub 2017 Dec 21. PubMed PMID: 29276048; PubMed Central PMCID: PMC5820002.