ChemicalBook CAS DataBase List 2097938-51-5

2097938-51-5

Name	1H-Benzimidazole-6-carboxylic acid, 2-[1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinyl]-, methyl ester
CAS	2097938-51-5
Molecular Formula	C20H19ClN6O2
MDL Number	MFCD32067935
Molecular Weight	410.86
MOL File	2097938-51-5.mol

Chemical Properties

density	1.465±0.06 g/cm3(Predicted)
storage temp.	Store at -20°C
solubility	DMSO : 62.5 mg/mL (152.12 mM; Need ultrasonic)
form	Solid
pka	10.68±0.10(Predicted)
color	Off-white to pink

Hazard Information

Uses

R-10015, a broad-spectrum antiviral compound for HIV infection, acts as a potent and selective inhibitor of LIM domain kinase (LIMK) and binds to the ATP-binding pocket, with an IC50 of 38 nM for human LIMK1[1].

Biological Activity

R-10015 is a potent and selective LIM domain kinase (LIMK) inhibitor with IC50 of 38 nM for human LIMK1. It binds to the ATP-binding pocket and acts as a broad-spectrum antiviral compound for HIV infection.

in vitro

R-10015 (100 μM; 0-4 hours) inhibits cofilin phosphorylation directly through blocking LIM kinase in CEM-SS T cells.
R-10015 inhibits HIV-1 DNA synthesis, nuclear migration, and virion release.
R-10015 inhibits multiple viruses, including Zaire ebolavirus (EBOV), Rift Valley fever virus (RVFV), Venezuelan equine encephalitis virus (VEEV), and herpes simplex virus 1 (HSV-1) .< br/>

Western Blot Analysis

< td class="col1"> Result:

Cell Line:	CEM-SS T cells
Concentration:	100 μM
Incubation Time:	0 hour,0.5 hour,1 hour,2 hours,4 hours
Inhibited cofilin phosphorylation directly through blocking LIM kinase in CEM-SS T cells.

in vivo

R-10015 (10 mg/kg; ip) displays no indication of toxicity. The result suggests the possibility of short-term use of LIMK inhibitors to block viral infections.

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Animal Model:	6-8 weeks female C3H/HeN mice
Dosage:	10 mg/kg
Administration:	Intraperitoneal injection
Result:	Displayed none indication of toxicity.

target

Target	Value
hLIMK1 (Cell-free assay)	38 nM

IC 50

human LIMK1: 38 nM (IC₅₀)

storage

Store at -20°C

References

[1] Yi F, et al. Discovery of Novel Small-Molecule Inhibitors of LIM Domain Kinase for Inhibiting HIV-1. J Virol. 2017 Jun 9;91(13). pii: e02418-16. DOI:10.1128/JVI.02418-16

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