CAS 245342-14-7|LED209

Introduction：Basic information about CAS 245342-14-7|LED209, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. LED209 BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	LED209
CAS Number	245342-14-7	Molecular Weight	383.487
Density	1.4±0.1 g/cm3	Boiling Point	549.4±60.0 °C at 760 mmHg
Molecular Formula	C₁₉H₁₇N₃O₂S₂	Melting Point	/
MSDS	/	Flash Point	286.1±32.9 °C

Names

Name	1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea
Synonym	More Synonyms

LED209 BiologicalActivity

Description	LED209 is a potent small molecule inhibitor of bacterial receptor QseC, is a potent prodrug that is highly selective for QseC. Target: AntibacterialLED209 has desirable pharmacokinetics and does not present toxicity in vitro and in rodents. This is a unique antivirulence approach, with a proven broad-spectrum activity against multiple Gram-negative pathogens that cause mammalian infections.The LED209 QseC inhibitor has a unique mode of action by acting as a prodrug scaffold to deliver a warhead that allosterically modifies QseC, impeding virulence in several Gram-negative pathogens.[1] LED209 is QseC sensor kinase inhibitor , as a potential lead compound to combat infections with Legionella or Mycobacterium spp. [2] LED209 inhibits the binding of signals to QseC, preventing its autophosphorylation and consequently inhibiting QseC-mediated activation of virulence gene expression. LED209 inhibits EHEC virulence traits in vitro. LED209 markedly inhibits the virulence of several pathogens in animals. Inhibition of signaling offers a strategy for the development of broad-spectrum antimicrobial drugs. [3]
Related Catalog	Signaling Pathways >>Anti-infection >>BacterialResearch Areas >>Infection
References	[1]. Curtis MM, et al. QseC inhibitors as an antivirulence approach for Gram-negative pathogens. MBio. 2014 Nov 11;5(6):e02165. [2]. Harrison CF, et al. Adrenergic antagonists restrict replication of Legionella. Microbiology. 2015 Jul;161(7):1392-406. [3]. Rasko DA, et al. Targeting QseC signaling and virulence for antibiotic development. Science. 2008 Aug 22;321(5892):1078-80.

Description

LED209 is a potent small molecule inhibitor of bacterial receptor QseC, is a potent prodrug that is highly selective for QseC. Target: AntibacterialLED209 has desirable pharmacokinetics and does not present toxicity in vitro and in rodents. This is a unique antivirulence approach, with a proven broad-spectrum activity against multiple Gram-negative pathogens that cause mammalian infections.The LED209 QseC inhibitor has a unique mode of action by acting as a prodrug scaffold to deliver a warhead that allosterically modifies QseC, impeding virulence in several Gram-negative pathogens.[1] LED209 is QseC sensor kinase inhibitor , as a potential lead compound to combat infections with Legionella or Mycobacterium spp. [2] LED209 inhibits the binding of signals to QseC, preventing its autophosphorylation and consequently inhibiting QseC-mediated activation of virulence gene expression. LED209 inhibits EHEC virulence traits in vitro. LED209 markedly inhibits the virulence of several pathogens in animals. Inhibition of signaling offers a strategy for the development of broad-spectrum antimicrobial drugs. [3]

Related Catalog

Signaling Pathways >>Anti-infection >>BacterialResearch Areas >>Infection

References

[1]. Curtis MM, et al. QseC inhibitors as an antivirulence approach for Gram-negative pathogens. MBio. 2014 Nov 11;5(6):e02165.

[2]. Harrison CF, et al. Adrenergic antagonists restrict replication of Legionella. Microbiology. 2015 Jul;161(7):1392-406.

[3]. Rasko DA, et al. Targeting QseC signaling and virulence for antibiotic development. Science. 2008 Aug 22;321(5892):1078-80.

Chemical & Physical Properties

Density	1.4±0.1 g/cm3
Boiling Point	549.4±60.0 °C at 760 mmHg
Molecular Formula	C₁₉H₁₇N₃O₂S₂
Molecular Weight	383.487
Flash Point	286.1±32.9 °C
Exact Mass	383.076202
PSA	110.70000
LogP	3.40
Vapour Pressure	0.0±1.5 mmHg at 25°C
Index of Refraction	1.741
InChIKey	HNDRSTUKPCLQLT-UHFFFAOYSA-N
SMILES	O=S(=O)(Nc1ccccc1)c1ccc(NC(=S)Nc2ccccc2)cc1
Storage condition	2-8℃

Synonyms

LED209 hydrate

Benzenesulfonamide, N-phenyl-4-[[(phenylamino)thioxomethyl]amino]-

N-Phenyl-4-(3-phenylthioureido)benzenesulfonamide

N-Phenyl-4-[(phenylcarbamothioyl)amino]benzenesulfonamide

N-phenyl-4-[[(phenylamino)thioxomethyl]amino]benzenesulfonamide hydrate

LED209

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