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| Targets |
LB-60-OF61 primarily targets nicotinamide phosphoribosyltransferase (NAMPT), the rate-limiting enzyme in the NAD+ salvage pathway. NAMPT catalyzes the conversion of nicotinamide to nicotinamide mononucleotide (NMN), which is then converted to NAD+. By inhibiting NAMPT, LB-60-OF61 depletes cellular NAD+ levels, leading to energy crisis, impaired DNA repair, and cell death. The compound exhibits selectivity for MYC-overexpressing cancer cell lines, as MYC-driven cancers are particularly dependent on NAD+ metabolism for survival. This selectivity makes LB-60-OF61 a valuable tool for studying the role of NAD+ metabolism and the NAMPT pathway in MYC-driven tumor biology. The compound has a molecular formula of C2₉H30N₆O2.
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| ln Vitro |
LB-60-OF61 is efficient against HCT116 cells, as demonstrated by an IC50 measured in 384-well plates of about 30 nM [1].
LB-60-OF61 demonstrates potent in vitro antiproliferative activity against MYC oncogene-dependent cancer cell lines. As a NAMPT inhibitor, the compound depletes cellular NAD+ levels, leading to energy crisis and cell death. The compound is a cytotoxic compound selective for MYC-overexpressing cell lines, indicating that MYC-driven cancers are particularly sensitive to NAMPT inhibition. This selectivity is likely due to the increased dependence of MYC-overexpressing cells on NAD+ metabolism for survival and proliferation. The compound's activity has been characterized in various cancer cell lines, with effects on cell viability, proliferation, and NAD+ levels being assessed. LB-60-OF61's potent and selective activity makes it a valuable tool for studying the role of NAD+ metabolism in MYC-driven tumor biology. |
| ln Vivo |
In vivo activity data for LB-60-OF61 are limited. Based on its mechanism as a NAMPT inhibitor and its antiproliferative activity against MYC oncogene-dependent cancer cell lines, the compound has the potential to inhibit tumor growth in vivo. As a cytotoxic compound selective for MYC-overexpressing cell lines, LB-60-OF61 may be effective in animal models of MYC-driven cancers. However, comprehensive pharmacokinetic and pharmacodynamic studies in animal models have not been extensively reported in the available literature. The compound's molecular formula is C2₉H30N₆O2 and its molecular weight is 494.59. Further research is needed to establish the compound's in vivo efficacy, safety profile, and therapeutic potential.
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| Enzyme Assay |
The in vitro enzyme/receptor binding assay for LB-60-OF61 typically involves measuring its inhibitory activity against NAMPT using enzymatic activity assays. The assay system includes recombinant human NAMPT enzyme, the substrates nicotinamide and 5-phosphoribosyl-1-pyrophosphate (PRPP), and assay buffer (typically containing Tris-HCl, ATP, and magnesium chloride). LB-60-OF61 is added at varying concentrations (0.1 nM to 100 uM) and pre-incubated with the enzyme before substrate addition. The reaction is incubated at 37degC for 30-60 minutes, and the formation of nicotinamide mononucleotide (NMN) is monitored using HPLC or by coupled enzyme assays that detect NAD+ formation. IC₅0 values are calculated from dose-response curves using nonlinear regression analysis. Alternatively, the compound's binding affinity can be assessed using surface plasmon resonance or isothermal titration calorimetry.
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| Cell Assay |
The in vitro cell-based assay for LB-60-OF61 involves culturing cancer cell lines, particularly MYC-overexpressing cells, and treating them with varying concentrations of the compound to assess its antiproliferative and cytotoxic effects. Cells are typically seeded in multi-well plates and treated with LB-60-OF61 (0.1 nM to 100 uM) for 24-72 hours in appropriate culture media at 37degC with 5% CO2. Following treatment, cell viability is assessed using standard assays such as MTT, CCK-8, or CellTiter-Glo to determine IC₅0 values. Additionally, cellular NAD+ levels can be measured using enzymatic cycling assays or LC-MS to confirm target engagement. Apoptosis can be assessed using Annexin V/PI staining or caspase activity assays. The compound's selectivity for MYC-overexpressing cells can be evaluated by comparing its effects on MYC-driven versus non-MYC-driven cell lines.
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| Animal Protocol |
In vivo animal studies for LB-60-OF61 have not been extensively documented in the literature. Based on the compound's mechanism as a NAMPT inhibitor and its antiproliferative activity against MYC oncogene-dependent cancer cell lines, potential animal studies would typically involve administration of the compound via intraperitoneal, intravenous, or oral routes in mouse xenograft models of MYC-driven cancers. Dosing would be determined based on preliminary pharmacokinetic data and solubility profiles. Common endpoints in such studies would include evaluation of tumor growth inhibition, assessment of NAD+ levels in tumor tissues, and monitoring of general toxicity parameters. However, comprehensive in vivo efficacy and toxicity studies have not been widely reported for this compound. The compound has a molecular weight of 494.59.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of LB-60-OF61 have not been characterized in the literature. The compound has a molecular weight of 494.59 g/mol and a molecular formula of C2₉H30N₆O2. Its SMILES code is N#CC(N=C12)=NC=C2C=C(COC3=CC=C(C(NCC4=CN=CC=C4)=O)C=C3)N1CCC5CCCCC5. The compound is intended for research purposes only. However, detailed pharmacokinetic parameters such as half-life, bioavailability, clearance, and volume of distribution have not been reported. The compound's physicochemical properties, including its lipophilicity and solubility, would influence its absorption, distribution, metabolism, and excretion profile. Further research is needed to characterize the compound's pharmacokinetic properties.
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| Toxicity/Toxicokinetics |
Toxicity data for LB-60-OF61 are limited, as the compound is a research-use NAMPT inhibitor and has not undergone extensive toxicological characterization. Standard safety precautions should be followed when handling this compound, including the use of appropriate personal protective equipment such as gloves and lab coats to prevent skin contact and inhalation of dust. The compound should be handled in a well-ventilated area. In case of accidental exposure, rinse affected areas with plenty of water and seek medical attention if irritation persists. Proper waste disposal procedures should be observed in accordance with local regulations. As with all research chemicals, exposure should be minimized and the compound should be stored securely away from incompatible materials.
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| References | |
| Additional Infomation |
LB-60-OF61 (CAS#: 794461-93-1) is a research-grade NAMPT inhibitor with the molecular formula C2₉H30N₆O2 and a molecular weight of 494.59. Also known as LB 60 OF61 or LB60OF61, this compound is a potent and selective inhibitor of nicotinamide phosphoribosyltransferase (NAMPT), the key enzyme in the NAD+ salvage pathway. By blocking NAMPT activity, LB-60-OF61 depletes cellular NAD+ levels, leading to energy crisis and cell death. The compound exhibits antiproliferative activity against MYC oncogene-dependent cancer cell lines and is a cytotoxic compound selective for MYC-overexpressing cell lines. LB-60-OF61 is used in cancer research to study the role of NAD+ metabolism and the NAMPT pathway in tumor biology. The compound is intended for research purposes only. No clinical trials or regulatory approvals have been reported.
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| Molecular Formula |
C29H30N6O2
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| Molecular Weight |
494.587505817413
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| Exact Mass |
494.243
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| CAS # |
794461-93-1
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| PubChem CID |
134692422
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| Appearance |
White to light yellow solid powder
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| LogP |
4.9
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
37
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| Complexity |
772
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C1C=CC(C(NCC2C=NC=CC=2)=O)=CC=1)CC1=CC2=CN=C(C#N)N=C2N1CCC1CCCCC1
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| InChi Key |
GCWGKOCPENDNLZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C29H30N6O2/c30-16-27-32-19-24-15-25(35(28(24)34-27)14-12-21-5-2-1-3-6-21)20-37-26-10-8-23(9-11-26)29(36)33-18-22-7-4-13-31-17-22/h4,7-11,13,15,17,19,21H,1-3,5-6,12,14,18,20H2,(H,33,36)
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| Chemical Name |
4-[[2-cyano-7-(2-cyclohexylethyl)pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]-N-(pyridin-3-ylmethyl)benzamide
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~200 mg/mL (~404.38 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0219 mL | 10.1094 mL | 20.2188 mL | |
| 5 mM | 0.4044 mL | 2.0219 mL | 4.0438 mL | |
| 10 mM | 0.2022 mL | 1.0109 mL | 2.0219 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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