CAS 1494675-86-3|DprE1-IN-1

Introduction：Basic information about CAS 1494675-86-3|DprE1-IN-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. DprE1-IN-1 BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	DprE1-IN-1
CAS Number	1494675-86-3	Molecular Weight	355.391
Density	1.3±0.1 g/cm3	Boiling Point	691.6±55.0 °C at 760 mmHg
Molecular Formula	C₁₈H₂₁N₅O₃	Melting Point	/
MSDS	/	Flash Point	372.1±31.5 °C

Names

Name	N-(2-Hydroxyethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
Synonym	More Synonyms

DprE1-IN-1 BiologicalActivity

Description	DprE1-IN-1 is a potent DprE1 inhibitor, with ic50 of 10 nM, also inhibits PDE6, with IC50 of 6 uM.IC50 value: 10 nM [1]Target: DprE1in vitro: DprE1-IN-1 demonstrats efficacy in a rodent model of tuberculosis, making it promising for further development.[1]in vivo: The pharmacokinetic profile of DprE1-IN-1 as a representative of the series in mice, rats, and dogs was determined after i.v. and oral dosing. DprE1-IN-1 shows oral bioavailabilities of 86% and 100% in rats and dogs, respectively. The oral exposures of DprE1-IN-1, assessed in infected animals, shows AUCs ranging from 166 to 240 μM · h, and free plasma concentrations were maintained above the MIC for 10 to 24 h. [2]
Related Catalog	Signaling Pathways >>Others >>OthersResearch Areas >>Inflammation/Immunology
References	[1]. Shirude PS, et al. Lead optimization of 1,4-azaindoles as antimycobacterial agents. J Med Chem. 2014 Jul 10;57(13):5728-37. [2]. Chatterji M, et al. 1,4-azaindole, a potential drug candidate for treatment of tuberculosis. Antimicrob Agents Chemother. 2014 Sep;58(9):5325-31.

Description

DprE1-IN-1 is a potent DprE1 inhibitor, with ic50 of 10 nM, also inhibits PDE6, with IC50 of 6 uM.IC50 value: 10 nM [1]Target: DprE1in vitro: DprE1-IN-1 demonstrats efficacy in a rodent model of tuberculosis, making it promising for further development.[1]in vivo: The pharmacokinetic profile of DprE1-IN-1 as a representative of the series in mice, rats, and dogs was determined after i.v. and oral dosing. DprE1-IN-1 shows oral bioavailabilities of 86% and 100% in rats and dogs, respectively. The oral exposures of DprE1-IN-1, assessed in infected animals, shows AUCs ranging from 166 to 240 μM · h, and free plasma concentrations were maintained above the MIC for 10 to 24 h. [2]

Related Catalog

Signaling Pathways >>Others >>OthersResearch Areas >>Inflammation/Immunology

References

[1]. Shirude PS, et al. Lead optimization of 1,4-azaindoles as antimycobacterial agents. J Med Chem. 2014 Jul 10;57(13):5728-37.

[2]. Chatterji M, et al. 1,4-azaindole, a potential drug candidate for treatment of tuberculosis. Antimicrob Agents Chemother. 2014 Sep;58(9):5325-31.

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	691.6±55.0 °C at 760 mmHg
Molecular Formula	C₁₈H₂₁N₅O₃
Molecular Weight	355.391
Flash Point	372.1±31.5 °C
Exact Mass	355.164429
LogP	1.37
Vapour Pressure	0.0±2.3 mmHg at 25°C
Index of Refraction	1.650
InChIKey	VDRYGTNDKXIPSK-UHFFFAOYSA-N
SMILES	COc1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc32)c1C
Storage condition	2-8℃

Synonyms

DprE1-IN-1

AZ7371

1H-Pyrrolo[3,2-b]pyridine-3-carboxamide, N-(2-hydroxyethyl)-1-[(6-methoxy-5-methyl-4-pyrimidinyl)methyl]-6-methyl-

N-(2-Hydroxyethyl)-1-[(6-methoxy-5-methyl-4-pyrimidinyl)methyl]-6-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

AZ-7371

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