| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
BRD:126 nM (Kd)
PCAF (p300/CBP-associated factor) bromodomain. L-Moses also binds to the homologous Brd from Plasmodium falciparum, PfGCN5, with a Kd of 280 nM. The compound binds in the acetylated lysine (KAc)-binding pocket of the bromodomain. |
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| ln Vitro |
L-Moses (L-45) disrupts the PCAF-Brd histone H3.3 association in cells using a nanoBRET assay, and a co-crystal structure of L-Moses with the homologous Brd PfGCN5 from Plasmodium falciparum explains its strong selectivity for PCAF and GCN5 bromodomains. A structure was successfully produced utilizing a highly similar (64% identity) Brd from Plasmodium falciparum, PfGCN5, in which L-Moses is also a powerful ligand (isothermal titration calorimetry (ITC) KD 280 nM) (PDB: 5TPX). L-Moses attaches to PfGCN's acetylated lysine (KAc)-binding pocket (blue ribbon and sticks) and forms H-bonds (dotted lines) across the triazole to N1436 and the first of four water molecules (red spheres) [1].
L-Moses binds to PCAF bromodomain with a Kd of 126 ± 15 nM. It binds to the homologous PfGCN5 bromodomain with a Kd of 280 nM. L-Moses disrupts PCAF-Brd histone H3.3 interaction in cells using a nanoBRET assay. The compound shows high selectivity for PCAF and GCN5 bromodomains. |
| ln Vivo |
The promise for in vivo application of L-Moses (L-45) is supported by its strong cell-permeability, metabolic stability, and lack of detectable cytotoxicity in both human and animal liver microsomes[1].
In human and mouse liver microsomes, L-Moses displays no observable cytotoxicity in peripheral blood mononuclear cells (PBMC), good cell-permeability, and metabolic stability. These properties support its potential for in vivo use. Detailed in vivo efficacy data in animal models has not been extensively reported. |
| Enzyme Assay |
Bromodomain binding assay: Recombinant PCAF bromodomain is incubated with varying concentrations of L-Moses and a fluorescently labeled acetylated histone peptide in assay buffer at room temperature for 30-60 min. Binding is measured by fluorescence polarization or AlphaScreen. Kd values are calculated from binding curves.
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| Cell Assay |
nanoBRET cellular engagement assay: Cells expressing PCAF-Brd-NanoLuc fusion protein are treated with L-Moses at varying concentrations and a cell-permeable fluorescent tracer. BRET signal is measured. The disruption of PCAF-Brd histone H3.3 interaction is quantified, and EC₅₀ values are calculated.
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| Animal Protocol |
No in vivo animal experimental protocols have been published for L-Moses in the available literature. In vivo studies would typically involve mouse models of cancer or inflammation, where L-Moses would be administered via intraperitoneal or oral routes, followed by assessment of target engagement, biomarker modulation, and anti-tumor efficacy.
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| ADME/Pharmacokinetics |
L-Moses has a molecular weight of 360.46 g/mol and molecular formula C₂₁H₂₄N₆. Purity is 99.55%. The compound shows good cell permeability and metabolic stability in human and mouse liver microsomes. Comprehensive PK parameters remain to be characterized.
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| Toxicity/Toxicokinetics |
L-Moses displays no observable cytotoxicity in peripheral blood mononuclear cells (PBMC). No detailed toxicity data has been published. The compound is for research use only. Standard laboratory safety practices should be followed when handling this compound.
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| References | |
| Additional Infomation |
L-Moses (L-45) is the first potent and cell-active PCAF bromodomain inhibitor with a Kd of 126 nM. It binds selectively to PCAF and GCN5 bromodomains and disrupts PCAF-Brd histone interactions in cells. The compound shows good cell permeability and metabolic stability. No clinical trials or approved上市 status have been reported.
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| Molecular Formula |
C21H24N6
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|---|---|
| Molecular Weight |
360.455463409424
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| Exact Mass |
360.206
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| CAS # |
2079885-05-3
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| Related CAS # |
L-Moses dihydrochloride
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| PubChem CID |
131698638
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| Appearance |
White to light yellow solid powder
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| LogP |
3.7
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
27
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| Complexity |
479
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CC1=NN=C2C3C=CC=CC=3C(=NN12)N[C@@H](C)[C@H](C1C=CC=CC=1)N(C)C
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| InChi Key |
MSFPLTWUFWOKBX-IFXJQAMLSA-N
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| InChi Code |
InChI=1S/C21H24N6/c1-14(19(26(3)4)16-10-6-5-7-11-16)22-20-17-12-8-9-13-18(17)21-24-23-15(2)27(21)25-20/h5-14,19H,1-4H3,(H,22,25)/t14-,19+/m0/s1
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| Chemical Name |
(1S,2S)-1-N,1-N-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine
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| Synonyms |
L Moses LMoses L-Moses
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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 : ~33.33 mg/mL (~92.47 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 | 2.7742 mL | 13.8712 mL | 27.7423 mL | |
| 5 mM | 0.5548 mL | 2.7742 mL | 5.5485 mL | |
| 10 mM | 0.2774 mL | 1.3871 mL | 2.7742 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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