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R-10015

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Category Human immunodeficiency Virus (HIV)
CAS 2097938-51-5
Description R-10015 is an LIM domain kinase (LIMK) inhibitor that acts as a broad-spectrum antiviral drug for HIV infection. R-10015 blocks LIMK activity by binding to the ATP-binding pocket.
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Product Information

Synonyms R 10015; R10015
IUPAC Name methyl 2-[1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3H-benzimidazole-5-carboxylate
Molecular Weight 410.86
Molecular Formula C20H19ClN6O2
Canonical SMILES COC(=O)C1=CC2=C(C=C1)N=C(N2)C3CCN(CC3)C4=NC=NC5=C4C(=CN5)Cl
InChI InChI=1S/C20H19ClN6O2/c1-29-20(28)12-2-3-14-15(8-12)26-17(25-14)11-4-6-27(7-5-11)19-16-13(21)9-22-18(16)23-10-24-19/h2-3,8-11H,4-7H2,1H3,(H,25,26)(H,22,23,24)
InChIKey MGRJCGXCUUCOQG-UHFFFAOYSA-N
Purity 99.72%
Solubility In vitro:
10 mM in DMSO
Appearance Off-white to pink (Solid)
Storage Powder:
-20°C: 3 years
4°C: 2 years
In solvent:
-80°C: 6 months
-20°C: 1 month
Complexity 604
Exact Mass 410.1258016
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).
In Vivo R-10015 (10 mg/kg; i.p.) displays none indication of toxicity. The result suggests the possibility of short-term use of LIMK inhibitors to block viral infections.
Target LIM Kinase (LIMK); Reverse Transcriptase
XLogP3-AA 3.4

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