R10015
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 555875

CAS#: 2097938-51-5

Description: R10015 is potent DNA synthesis inhibitor and virus inhibitor. It inhibits multiple viruses, including Zaire ebolavirus, Rift Valley fever virus, Venezuelan equine encephalitis virus, and herpes simplex virus 1.


Chemical Structure

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R10015
CAS# 2097938-51-5

Theoretical Analysis

MedKoo Cat#: 555875
Name: R10015
CAS#: 2097938-51-5
Chemical Formula: C20H19ClN6O2
Exact Mass: 410.13
Molecular Weight: 410.862
Elemental Analysis: C, 58.47; H, 4.66; Cl, 8.63; N, 20.46; O, 7.79

Price and Availability

Size Price Availability Quantity
25mg USD 250 2 Weeks
50mg USD 450 2 Weeks
100mg USD 750 2 Weeks
200mg USD 1250 2 Weeks
500mg USD 2650 2 Weeks
1g USD 3750 2 Weeks
2g USD 6450 2 Weeks
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Synonym: R-10015; R 10015; R10015;

IUPAC/Chemical Name: Methyl 2-(1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl) piperidin-4-yl)-1H-benzo[d]imidazole-5-carboxylate

InChi Key: MGRJCGXCUUCOQG-UHFFFAOYSA-N

InChi Code: 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)

SMILES Code: O=C(C1=CC=C2NC(C3CCN(C4=C5C(NC=C5Cl)=NC=N4)CC3)=NC2=C1)OC

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info: A dynamic actin cytoskeleton is necessary for viral entry, intracellular migration, and virion release. For HIV-1 infection, during entry, the virus triggers early actin activity by hijacking chemokine coreceptor signaling, which activates a host dependency factor, cofilin, and its kinase, the LIM domain kinase (LIMK). Although knockdown of human LIM domain kinase 1 (LIMK1) with short hairpin RNA (shRNA) inhibits HIV infection, no specific small-molecule inhibitor of LIMK has been available. Here, we describe the design and discovery of novel classes of small-molecule inhibitors of LIMK for inhibiting HIV infection

Product Data:
Biological target: R-10015 acts as a potent and selective inhibitor of LIMK and binds to the ATP-binding pocket, with an IC50 of 38 nM for human LIMK1.
In vitro activity: This study identified R10015 as a lead compound that blocks LIMK activity by binding to the ATP-binding pocket. R10015 specifically blocks viral DNA synthesis, nuclear migration, and virion release. R10015 inhibits multiple viruses, including Zaire ebolavirus, Rift Valley fever virus, Venezuelan equine encephalitis virus, and herpes simplex virus 1, suggesting that LIMK inhibitors could be developed as a new class of broad-spectrum antiviral drugs. Reference: J Virol. 2017 Jun 9;91(13):e02418-16. https://pubmed.ncbi.nlm.nih.gov/28381571/
In vivo activity: Treatment of resting CD4+ T cells with R10015 blocked cofilin phosphorylation and abrogated IP-10-mediated enhancement of HIV latent infection. Therapeutic targeting of IP-10 may be a potential strategy for inhibiting HIV latent infection. Reference: Front Immunol. 2021 Aug 10;12:656663. https://pubmed.ncbi.nlm.nih.gov/34447368/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 3.2 10.00
DMSO 3.2 10.00

Preparing Stock Solutions

The following data is based on the product molecular weight 410.86 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: 1. Yi F, Guo J, Dabbagh D, Spear M, He S, Kehn-Hall K, Fontenot J, Yin Y, Bibian M, Park CM, Zheng K, Park HJ, Soloveva V, Gharaibeh D, Retterer C, Zamani R, Pitt ML, Naughton J, Jiang Y, Shang H, Hakami RM, Ling B, Young JAT, Bavari S, Xu X, Feng Y, Wu Y. Discovery of Novel Small-Molecule Inhibitors of LIM Domain Kinase for Inhibiting HIV-1. J Virol. 2017 Jun 9;91(13):e02418-16. doi: 10.1128/JVI.02418-16. PMID: 28381571; PMCID: PMC5469273. 2. Wang Z, Yin X, Ma M, Ge H, Lang B, Sun H, He S, Fu Y, Sun Y, Yu X, Zhang Z, Cui H, Han X, Xu J, Ding H, Chu Z, Shang H, Wu Y, Jiang Y. IP-10 Promotes Latent HIV Infection in Resting Memory CD4+ T Cells via LIMK-Cofilin Pathway. Front Immunol. 2021 Aug 10;12:656663. doi: 10.3389/fimmu.2021.656663. PMID: 34447368; PMCID: PMC8383741.
In vitro protocol: 1. Yi F, Guo J, Dabbagh D, Spear M, He S, Kehn-Hall K, Fontenot J, Yin Y, Bibian M, Park CM, Zheng K, Park HJ, Soloveva V, Gharaibeh D, Retterer C, Zamani R, Pitt ML, Naughton J, Jiang Y, Shang H, Hakami RM, Ling B, Young JAT, Bavari S, Xu X, Feng Y, Wu Y. Discovery of Novel Small-Molecule Inhibitors of LIM Domain Kinase for Inhibiting HIV-1. J Virol. 2017 Jun 9;91(13):e02418-16. doi: 10.1128/JVI.02418-16. PMID: 28381571; PMCID: PMC5469273.
In vivo protocol: 1. Wang Z, Yin X, Ma M, Ge H, Lang B, Sun H, He S, Fu Y, Sun Y, Yu X, Zhang Z, Cui H, Han X, Xu J, Ding H, Chu Z, Shang H, Wu Y, Jiang Y. IP-10 Promotes Latent HIV Infection in Resting Memory CD4+ T Cells via LIMK-Cofilin Pathway. Front Immunol. 2021 Aug 10;12:656663. doi: 10.3389/fimmu.2021.656663. PMID: 34447368; PMCID: PMC8383741.

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Yi F, Guo J, Dabbagh D, Spear M, He S, Kehn-Hall K, Fontenot J, Yin Y, Bibian M, Park CM, Zheng K, Park HJ, Soloveva V, Gharaibeh D, Retterer C, Zamani R, Pitt ML, Naughton J, Jiang Y, Shang H, Hakami RM, Ling B, Young JAT, Bavari S, Xu X, Feng Y, Wu Y. Discovery of Novel Small-Molecule Inhibitors of LIM Domain Kinase for Inhibiting HIV-1. J Virol. 2017 Jun 9;91(13):e02418-16. doi: 10.1128/JVI.02418-16. PMID: 28381571; PMCID: PMC5469273.