PeptideDB

G907 2244035-16-1

G907 2244035-16-1

CAS No.: 2244035-16-1

G907 is a selective, bactericidal ( bacteria killing) antagonist of the ATP-binding cassette (ABC) transporter MsbA. G90
Data collection:peptidedb@qq.com

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G907 is a selective, bactericidal ( bacteria killing) antagonist of the ATP-binding cassette (ABC) transporter MsbA. G907 inhibits Escherichia coli MsbA with IC50 of 18 nM. G907 traps MsbA in an inward-facing lipopolysaccharide-binding conformation by wedged into a structurally conserved transmembrane pocket.

Physicochemical Properties


Molecular Formula C26H24CLNO3
Molecular Weight 433.926666259766
Exact Mass 433.144
CAS # 2244035-16-1
PubChem CID 139035046
Appearance Typically exists as solid at room temperature
LogP 6.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 7
Heavy Atom Count 31
Complexity 676
Defined Atom Stereocenter Count 0
SMILES

CC(C1=C(C=CC=C1Cl)C2CC2)OC3=CC4=C(C(=CN=C4C=C3)/C=C/C(=O)O)C5CC5

InChi Key HOMQCLNBKVHZGD-FMIVXFBMSA-N
InChi Code

InChI=1S/C26H24ClNO3/c1-15(25-20(16-5-6-16)3-2-4-22(25)27)31-19-10-11-23-21(13-19)26(17-7-8-17)18(14-28-23)9-12-24(29)30/h2-4,9-17H,5-8H2,1H3,(H,29,30)/b12-9+
Chemical Name

(E)-3-[6-[1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl]prop-2-enoic acid
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)

Biological Activity


ln Vitro G907 (0.1 nM-100 μM) completely suppresses Escherichia coli MsbA activity, with an IC50 value of 18 nM[1]. G907 has MsbA-blocking allosteric inhibition action [1]. WT pontics biotin-PE transport activity [2].
References [1]. Ho H, et al. Structural basis for dual-mode inhibition of the ABC transporter MsbA. Nature. 2018 May;557(7704):196-201.
[2]. Guo D, et al. Energetics of lipid transport by the ABC transporter MsbA is lipid dependent. Commun Biol. 2021 Dec 9;4(1):1379.

Solubility Data


Solubility (In Vitro) DMSO : ~83.33 mg/mL (~192.04 mM)
Solubility (In Vivo) Solubility in Formulation 1: ≥ 2.08 mg/mL (4.79 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.3045 mL 11.5226 mL 23.0452 mL
5 mM 0.4609 mL 2.3045 mL 4.6090 mL
10 mM 0.2305 mL 1.1523 mL 2.3045 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.