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MedKoo Cat#: 525920 | Name: LP117

Description:

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

LP117 is a novel drug-specific modulator of ABCB1-mediated drug transport.

Chemical Structure

LP117
LP117
CAS#1056468-55-3

Theoretical Analysis

MedKoo Cat#: 525920

Name: LP117

CAS#: 1056468-55-3

Chemical Formula: C21H23ClN4O2S

Exact Mass: 430.1230

Molecular Weight: 430.95

Elemental Analysis: C, 58.53; H, 5.38; Cl, 8.23; N, 13.00; O, 7.42; S, 7.44

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Synonym
LP117
IUPAC/Chemical Name
Ethyl 2-((4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl)thio)hexanoate
InChi Key
PGDAEUTURQTTPZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H23ClN4O2S/c1-3-5-8-17(20(27)28-4-2)29-21-25-18(22)13-19(26-21)24-15-9-10-16-14(12-15)7-6-11-23-16/h6-7,9-13,17H,3-5,8H2,1-2H3,(H,24,25,26)
SMILES Code
CCCCC(SC1=NC(NC2=CC=C3N=CC=CC3=C2)=CC(Cl)=N1)C(OCC)=O
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
>2 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
Product Data
Product Data
Instruction
View handling instruction
Biological target:
LP117 is a novel and potent inhibitor of 5-Lipoxygenase (5-LO) product synthesis with an IC50 of 1.1 μM.
In vitro activity:
LP117, the compound that exerted the strongest effect on ABCB1, interfered in the investigated concentrations of up to 2μM with the ABCB1-mediated transport of vincristine, vinorelbine, actinomycin D, paclitaxel, and calcein-AM but not of doxorubicin, rhodamine 123, or JC-1 Reference: Oncotarget. 2016 Mar 8;7(10):11664-76. https://pubmed.ncbi.nlm.nih.gov/26887049/
In vivo activity:
TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 430.95 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. Michaelis M, Rothweiler F, Wurglics M, Aniceto N, Dittrich M, Zettl H, Wiese M, Wass M, Ghafourian T, Schubert-Zsilavecz M, Cinatl J. Substrate-specific effects of pirinixic acid derivatives on ABCB1-mediated drug transport. Oncotarget. 2016 Mar 8;7(10):11664-76. doi: 10.18632/oncotarget.7345. PMID: 26887049; PMCID: PMC4905501. 2. Werz O, Greiner C, Koeberle A, Hoernig C, George S, Popescu L, Syha I, Schubert-Zsilavecz M, Steinhilber D. Novel and potent inhibitors of 5-lipoxygenase product synthesis based on the structure of pirinixic acid. J Med Chem. 2008 Sep 11;51(17):5449-53. doi: 10.1021/jm800588x. Epub 2008 Aug 19. PMID: 18710209.
In vitro protocol:
1. Michaelis M, Rothweiler F, Wurglics M, Aniceto N, Dittrich M, Zettl H, Wiese M, Wass M, Ghafourian T, Schubert-Zsilavecz M, Cinatl J. Substrate-specific effects of pirinixic acid derivatives on ABCB1-mediated drug transport. Oncotarget. 2016 Mar 8;7(10):11664-76. doi: 10.18632/oncotarget.7345. PMID: 26887049; PMCID: PMC4905501. 2. Werz O, Greiner C, Koeberle A, Hoernig C, George S, Popescu L, Syha I, Schubert-Zsilavecz M, Steinhilber D. Novel and potent inhibitors of 5-lipoxygenase product synthesis based on the structure of pirinixic acid. J Med Chem. 2008 Sep 11;51(17):5449-53. doi: 10.1021/jm800588x. Epub 2008 Aug 19. PMID: 18710209.
In vivo protocol:
TBD
1: Michaelis M, Rothweiler F, Wurglics M, Aniceto N, Dittrich M, Zettl H, Wiese M, Wass M, Ghafourian T, Schubert-Zsilavecz M, Cinatl J. Substrate-specific effects of pirinixic acid derivatives on ABCB1-mediated drug transport. Oncotarget. 2016 Mar 8;7(10):11664-76. doi: 10.18632/oncotarget.7345. PubMed PMID: 26887049; PubMed Central PMCID: PMC4905501. 2: White JA, Ziv I, Cleary LJ, Baxter DA, Byrne JH. The role of interneurons in controlling the tail-withdrawal reflex in Aplysia: a network model. J Neurophysiol. 1993 Nov;70(5):1777-86. PubMed PMID: 8294952. 3: Cleary LJ, Byrne JH. Identification and characterization of a multifunction neuron contributing to defensive arousal in Aplysia. J Neurophysiol. 1993 Nov;70(5):1767-76. PubMed PMID: 8294951.