| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
The compound does not have a biological target in the traditional sense, as it is a peptide fragment used for analytical purposes. Its "target" is the specific detection by mass spectrometry. The peptide sequence LEESGGGLVQPGGSMK is unique to infliximab, allowing for its selective quantification in the presence of other proteins. It does not possess inherent pharmacological activity. Its utility lies in its ability to act as a surrogate for the intact antibody in analytical assays, enabling researchers to measure the concentration of infliximab in serum or plasma samples with high sensitivity and specificity.
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|---|---|
| ln Vitro |
Anti-TNF antibodies obstruct the effects of TNF alpha, a novel therapy for TNF-related disorders, including rheumatoid arthritis, psoriatic arthritis, ulcerative colitis, ankylosing spondylitis, and inflammatory bowel disease. Anti-TNF antibodies stimulate mucosal healing and long-term remissions in vivo by blocking TNF activity. The primary anti-TNF antibodies that are now approved include Golimumab, Adalimumab, Certolizumab, Etanercept, and Infliximab[1].
The in vitro activity of this compound is not applicable in the context of drug pharmacology. Its "activity" is its performance as an analytical standard. It is characterized by its high purity, typically >95% as determined by HPLC, and its molecular weight, which is confirmed by mass spectrometry. The peptide's sequence is verified by tandem mass spectrometry. Its key performance attribute is its ability to be efficiently ionized and fragmented in the mass spectrometer, producing a unique transition that can be monitored for quantification. It does not have antiviral, anticancer, or any other biological activity. |
| ln Vivo |
Information regarding the in vivo activity of this compound is not applicable, as it is not administered as a therapeutic agent. The peptide is used exclusively for in vitro analytical purposes. When it is used for quantifying infliximab in patient samples, the "in vivo" data being generated is the concentration of infliximab, not the peptide itself. The peptide's behavior in vivo is not relevant to its function as an analytical standard. It is spiked into samples as an internal standard or used to generate a calibration curve.
|
| Enzyme Assay |
The non-cellular enzyme or receptor binding assay for this compound is not applicable. Its primary use is in analytical chemistry, specifically in LC-MS/MS-based assays. The "assay" in which it is used involves the digestion of infliximab into peptides using a protease such as trypsin, followed by separation and detection of the signature peptide by mass spectrometry. The peptide is not used in any binding assay. Its quantification is based on the mass-to-charge ratio of its specific fragment ions, which are generated by collision-induced dissociation in the mass spectrometer.
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| Cell Assay |
The in vitro cellular assay for this compound is not applicable. It is not used to treat cells or to study cellular processes. Its use is strictly in analytical chemistry. The closest to a "cellular assay" would be the processing of a biological sample, such as serum, which contains the infliximab antibody. However, the peptide itself is not used in a cellular context. The analysis is performed on the extracted and digested proteins from the sample, and the peptide is merely a signature fragment that is detected. It is a reagent, not a test article.
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| Animal Protocol |
The in vivo animal experiment workflow for this compound is not applicable. It is not used in animal studies. If infliximab is being studied in an animal model, this peptide would be used as an analytical standard to quantify the concentration of infliximab in the animal's blood or tissues. The workflow would involve collecting blood samples from the animal at various time points, extracting the infliximab, digesting it with trypsin, and then using the peptide as a standard to quantify the infliximab levels by LC-MS/MS. The peptide itself is not administered to the animals.
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| References |
| Molecular Formula |
C64H108N18O24S
|
|---|---|
| Molecular Weight |
1545.71353435516
|
| Exact Mass |
1544.75
|
| CAS # |
2096980-79-7
|
| Related CAS # |
LEESGGGLVQPGGSMK acetate;LEESGGGLVQPGGSMK TFA
|
| PubChem CID |
168013172
|
| Sequence |
Leu-Glu-Glu-Ser-Gly-Gly-Gly-Leu-Val-Gln-Pro-Gly-Gly-Ser-Met-LysLEESGGGLVQPGGSMK
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| SequenceShortening |
LEESGGGLVQPGGSMK
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
-11.1
|
| Hydrogen Bond Donor Count |
22
|
| Hydrogen Bond Acceptor Count |
27
|
| Rotatable Bond Count |
53
|
| Heavy Atom Count |
107
|
| Complexity |
3090
|
| Defined Atom Stereocenter Count |
11
|
| SMILES |
CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)O)N
|
| InChi Key |
FDSAXDASAWSGRC-VCMHEWOTSA-N
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| InChi Code |
InChI=1S/C64H108N18O24S/c1-32(2)23-35(66)54(95)75-36(14-17-51(91)92)56(97)76-37(15-18-52(93)94)57(98)80-42(30-83)55(96)71-26-47(87)68-25-46(86)69-28-49(89)73-41(24-33(3)4)59(100)81-53(34(5)6)62(103)78-39(13-16-45(67)85)63(104)82-21-10-12-44(82)61(102)72-27-48(88)70-29-50(90)74-43(31-84)60(101)77-38(19-22-107-7)58(99)79-40(64(105)106)11-8-9-20-65/h32-44,53,83-84H,8-31,65-66H2,1-7H3,(H2,67,85)(H,68,87)(H,69,86)(H,70,88)(H,71,96)(H,72,102)(H,73,89)(H,74,90)(H,75,95)(H,76,97)(H,77,101)(H,78,103)(H,79,99)(H,80,98)(H,81,100)(H,91,92)(H,93,94)(H,105,106)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,53-/m0/s1
|
| Chemical Name |
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoic 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 0.6470 mL | 3.2348 mL | 6.4695 mL | |
| 5 mM | 0.1294 mL | 0.6470 mL | 1.2939 mL | |
| 10 mM | 0.0647 mL | 0.3235 mL | 0.6470 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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