| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| 250mg | |||
| Other Sizes |
| Targets |
Fmoc-N-Me-His(Trt)-OH is not a drug and does not have a biological target. It is a synthetic intermediate used for the introduction of N-alpha-methylhistidine residues into peptide chains during Fmoc solid-phase peptide synthesis (SPPS). The compound is designed to protect both the N-terminus and the histidine side chain during peptide assembly. The N-methyl group introduces conformational constraints and enhances resistance to proteolytic degradation in the resulting peptide.
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| ln Vitro |
As a chemical synthetic intermediate, Fmoc-N-Me-His(Trt)-OH does not have inherent in vitro biological activity. Its purpose is as a building block in peptide synthesis. Any biological activity would be associated with the final deprotected peptide sequence synthesized using this derivative. Standard in vitro assays would be performed on the final, fully deprotected peptide, not on this protected intermediate. It is used solely as a reagent for the preparation of modified peptides.
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| ln Vivo |
This compound is not an active pharmaceutical ingredient and does not have in vivo biological activity. It is exclusively a reagent for the chemical synthesis of peptides and peptidomimetics. Any in vivo effects would only be observed after the intermediate has been incorporated into a larger, biologically active molecule and that molecule has been administered to an animal. This intermediate itself is not administered in animal studies. It is used only in chemical synthesis laboratories.
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| Enzyme Assay |
For non-cell-based assays, this compound is used as a reactant in peptide synthesis. Standard protocols involve dissolving the Fmoc-N-Me-His(Trt)-OH in DMF or DCM. The Fmoc group is removed by treatment with 20% piperidine in DMF for 20 minutes. The trityl group is removed with 1% TFA in DCM. The identity and purity of the compound are confirmed by HPLC and mass spectrometry. For peptide coupling, the free carboxylic acid is activated with HBTU/HOBt or HATU in the presence of DIPEA.
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| Cell Assay |
This chemical intermediate is not used directly in cell-based assays. It is designed as a building block for peptide synthesis. A typical workflow involves coupling this compound to a growing peptide chain on a solid support (e.g., Rink amide resin) using standard Fmoc SPPS protocols. After the full peptide sequence is assembled and deprotected (Fmoc removed with piperidine, trityl removed with TFA), the peptide is cleaved from the resin, purified by preparative HPLC, and then tested on cells in a functional assay such as receptor binding or enzyme inhibition.
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| Animal Protocol |
This compound is not used in animal experiments. It serves as a synthetic intermediate. For pharmacokinetic or biodistribution studies of a final peptide drug, the radiolabeled version of the drug would be synthesized. This could be achieved by starting with a 13C/15N-labeled or tritiated version of this building block. The final labeled peptide would then be administered to rodents, and samples would be analyzed by LC-MS/MS to determine its PK profile. The building block itself is never administered.
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| ADME/Pharmacokinetics |
As a protected amino acid derivative, Fmoc-N-Me-His(Trt)-OH is highly lipophilic due to the Fmoc and trityl groups. It is soluble in organic solvents such as DMF, DCM, and DMSO but insoluble in water. Pharmacokinetic studies are not performed on this synthetic intermediate because it is not intended for systemic administration. If it were to enter the bloodstream, it would be rapidly hydrolyzed by plasma esterases and not reach target tissues.
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| Toxicity/Toxicokinetics |
Formal toxicology data is not available for this compound as it is a chemical reagent, not a clinical drug. It is intended for research use only and not for human use. Standard safety data sheets classify it as a potential irritant. It should be handled with care using appropriate personal protective equipment (lab coat, gloves, safety glasses) in a well-ventilated area. No specific acute or chronic toxicity data has been determined. It is not a known carcinogen or reproductive hazard.
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| References | |
| Additional Infomation |
Fmoc-N-Me-His(Trt)-OH is a specialized building block for Fmoc solid-phase peptide synthesis (SPPS) of N-methylated peptides. N-methylation of the peptide backbone introduces constraints that can improve metabolic stability, enhance cell permeability, and increase target binding affinity. The trityl (Trt) protecting group on the histidine imidazole side chain is acid-labile and is removed during the final TFA cleavage step. The product has poor solubility and is often challenging to couple, requiring longer reaction times or elevated temperatures. It is not a drug and has no clinical applications.
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| Molecular Formula |
C41H35N3O4
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|---|---|
| Molecular Weight |
633.734
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| Exact Mass |
633.262
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| CAS # |
1217840-61-3
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| PubChem CID |
45934240
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
793.8±60.0 °C at 760 mmHg
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| Melting Point |
183-188°C
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| Flash Point |
433.9±32.9 °C
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| Vapour Pressure |
0.0±2.9 mmHg at 25°C
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| Index of Refraction |
1.646
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| LogP |
8.52
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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 |
11
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| Heavy Atom Count |
48
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| Complexity |
998
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CN(C(OCC1C2=C(C=CC=C2)C2C1=CC=CC=2)=O)[C@H](C(=O)O)CC1N=CN(C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=1
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| InChi Key |
JWVLJHMKVOZWMC-LHEWISCISA-N
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| InChi Code |
InChI=1S/C41H35N3O4/c1-43(40(47)48-27-37-35-23-13-11-21-33(35)34-22-12-14-24-36(34)37)38(39(45)46)25-32-26-44(28-42-32)41(29-15-5-2-6-16-29,30-17-7-3-8-18-30)31-19-9-4-10-20-31/h2-24,26,28,37-38H,25,27H2,1H3,(H,45,46)/t38-/m0/s1
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| Chemical Name |
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-(1-tritylimidazol-4-yl)propanoic acid
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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 : ~10 mg/mL (~15.78 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 | 1.5780 mL | 7.8898 mL | 15.7796 mL | |
| 5 mM | 0.3156 mL | 1.5780 mL | 3.1559 mL | |
| 10 mM | 0.1578 mL | 0.7890 mL | 1.5780 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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