gsk2200150a

Alias: GSK2200150; GSK-2200150; GSK 2200150; SPIRO; GSK2200150A; GSK-2200150A; GSK 2200150A;
Cat No.:V3388 Purity: ≥98%
GSK2200150A is a novel and potent antimycobacterial agent that has the potential for the treatment of tuberculosis (TB).
gsk2200150a Chemical Structure CAS No.: 1443138-53-1
Product category: Bacterial
This product is for research use only, not for human use. We do not sell to patients.
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Purity & Quality Control Documentation

Purity: ≥98%

Product Description

GSK2200150A is a novel and potent antimycobacterial agent that has the potential for the treatment of tuberculosis (TB). It has activity against Mycobacterium tuberculosis and Mycobacterium bovis BCG. Tuberculosis afflicts an estimated 2 billion people worldwide and causes 1.3 million deaths annually. Chemotherapeutic solutions rely on drugs developed many years ago, with only one new therapeutic having been approved in the last 40 years. Given the rise of drug-resistant strains, there is an urgent need for the development of a more robust drug development pipeline.

Biological Activity I Assay Protocols (From Reference)
Targets
M.tuberculosis strain H37Rv(MIC=0.38 μM)
ln Vitro
A brand-new antimycobacterial drug called GSK2200150A works against Mycobacterium tuberculosis.With a minimum inhibitory concentration (MIC) of 0.38 μM, the virulent M. tuberculosis strain H37Rv is the target of GSK2200150A's spirocycle core-containing activities [1].
Cell Assay
In triplicate, GSK2200150A is tested in 96-well microtiter plates at a single concentration of 100 µM or serially diluted in 10 µL of purified H2O. Middlebrook 7H9 complete media, which contains albumin, dextrose, and catalase (ADC), 20% Tween 80, and 50% glycerol, is used to cultivate M. tuberculosis H37Rv. The wells are filled with a 90 µL bacterial suspension with an OD600 nm of 0.001 and incubated for 7 days. Next, add 10 µL of resazurin (0.05% w/v) and incubate for 24 hours at 37°C. Using a FLUOstar Omega microplate reader, measure the fluorescence at 590 nm. The percentage of mycobacterial survival is calculated by subtracting the background fluorescence from each well and comparing the fluorescence of the compound-containing wells to that of the control wells that were not treated with the compound[1].
References

[1]. Efficient Synthesis and Anti-Tubercular Activity of a Series of Spirocycles: An Exercise in OpenScience. PLoS One. 2014 Dec 10;9(12):e111782.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C20H23NO3S
Molecular Weight
357.466524362564
Exact Mass
357.14
Elemental Analysis
C, 67.20; H, 6.49; N, 3.92; O, 13.43; S, 8.97
CAS #
1443138-53-1
Appearance
Solid powder
SMILES
N1(CC2=CC=C(OCCO3)C3=C2)CCC4(C(C=CS5)=C5CCO4)CC1
InChi Key
NCRPMBWORFWNGT-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H23NO3S/c1-2-17-18(23-11-10-22-17)13-15(1)14-21-7-5-20(6-8-21)16-4-12-25-19(16)3-9-24-20/h1-2,4,12-13H,3,5-11,14H2
Chemical Name
1-[(2,3-Dihydro-1,4-benzodioxin-6-yl)methyl]-6',7'-dihydro-spiro[piperidine-4,4'-[4H]thieno[3,2-c]pyran]
Synonyms
GSK2200150; GSK-2200150; GSK 2200150; SPIRO; GSK2200150A; GSK-2200150A; GSK 2200150A;
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO : 65 ~71 mg/mL ( 181.83 ~198.61 mM )
Ethanol : ~18 mg/mL
Solubility (In Vivo)
10% DMSO+40% PEG300+5% Tween-80+45% Saline: ≥ 2.17 mg/mL (6.07 mM) (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.7974 mL 13.9872 mL 27.9744 mL
5 mM 0.5595 mL 2.7974 mL 5.5949 mL
10 mM 0.2797 mL 1.3987 mL 2.7974 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

Biological Data
  • The GSK HTS campaign identified GSK2200150A, which is representative of the GSK Spiros family of anti-TB leads (A). (B) The optimised Spiros analogue developed by GSK [5]. (C) Existing anti-tubercular candidates that have a mode of action that involves MmpL3. [1].PLoS One. 2014 Dec 10;9(12):e111782.
  • Potential for the rapid synthesis of Spiros analogues via a common 2° amine intermediate 3.[1].PLoS One. 2014 Dec 10;9(12):e111782.
  • Synthesis of the core 70 was attempted using conditions adapted from the literature [12].[1].PLoS One. 2014 Dec 10;9(12):e111782.
  • Re-evaluating the route to the 2° amine core 3 (blue). [1].PLoS One. 2014 Dec 10;9(12):e111782.
  • Executing the revised strategy towards the synthesis of spirocycle core as the 2° amine 3.[1].PLoS One. 2014 Dec 10;9(12):e111782.
  • Diversification in the final step.[1].PLoS One. 2014 Dec 10;9(12):e111782.
  • The piperidine nitrogen signals of the acylated products can be visualised by HSQC experiments. [1].PLoS One. 2014 Dec 10;9(12):e111782.
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