| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 100mg | |||
| Other Sizes |
| Targets |
- NEP-In-1 targets neutral endopeptidase (NEP, EC 3.4.24.11) (Ki value for NEP inhibition: 1.2 nM); it shows high selectivity, with no significant inhibition on angiotensin-converting enzyme (ACE, IC50 > 10,000 nM) and aminopeptidase N (APN, IC50 > 10,000 nM) [1]
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|---|---|
| ln Vitro |
NEP-IN-1 (compound 30) is a selective neutral endopeptidase blocker that is prescribed to treat female sexual arousal problem [1].
- NEP inhibitory activity: NEP-In-1 inhibited recombinant human NEP enzyme activity in a dose-dependent manner. At concentrations ranging from 0.1 to 100 nM, it showed increasing inhibitory effects, with a Ki value of 1.2 nM (determined via nonlinear regression of the concentration-inhibition curve). The maximum inhibition rate reached ~98% at 100 nM [1] - Selectivity for NEP: NEP-In-1 exhibited no significant inhibitory activity against other related peptidases. At a concentration of 10,000 nM, it inhibited ACE by <5% and APN by <3%, confirming high selectivity for NEP [1] |
| Enzyme Assay |
- NEP enzyme activity assay: Recombinant human NEP was mixed with reaction buffer (pH 7.4) containing the fluorescent substrate MCA-D-Ala-Gly-Phe(NO2)-Gly (final concentration 25 μM) and NEP-In-1 (concentrations: 0.1, 0.3, 1, 3, 10, 30, 100 nM). The mixture was incubated at 37°C for 30 minutes. The fluorescence intensity of the product (MCA) was measured using a microplate reader (excitation wavelength: 320 nm; emission wavelength: 405 nm). The inhibition rate was calculated by comparing with the vehicle control group, and the Ki value was determined using the Dixon plot method [1]
- Selectivity assay for other peptidases: For ACE activity detection, recombinant human ACE and substrate Hippuryl-His-Leu were used; the reaction was incubated at 37°C for 60 minutes, and the released hippuric acid was measured via spectrophotometry (228 nm). For APN activity detection, recombinant human APN and substrate L-alanine-p-nitroanilide were used; the reaction was incubated at 37°C for 45 minutes, and the absorbance of p-nitroaniline was measured at 405 nm. NEP-In-1 was tested at 10,000 nM in both assays, and inhibition rates were calculated [1] |
| References | |
| Additional Infomation |
NEP-In-1 is a novel small-molecule selective neutral endopeptidase (NEP) inhibitor[1]. It is intended to treat female sexual arousal disorder (FSAD). Its mechanism of action is thought to enhance physiological responses associated with sexual arousal by inhibiting the degradation of NEP-mediated neuropeptides such as substance P and vasoactive intestinal peptide[1].
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| Molecular Formula |
C21H30CLNO4
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|---|---|
| Molecular Weight |
395.920205593109
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| Exact Mass |
395.186
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| CAS # |
465527-94-0
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| PubChem CID |
10272048
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| Appearance |
Typically exists as solid at room temperature
|
| LogP |
3.9
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
11
|
| Heavy Atom Count |
27
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| Complexity |
471
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| Defined Atom Stereocenter Count |
0
|
| InChi Key |
UOGBJRPKRSUJRU-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C21H30ClNO4/c1-27-14-10-17(19(24)25)15-21(11-2-3-12-21)20(26)23-13-4-5-16-6-8-18(22)9-7-16/h6-9,17H,2-5,10-15H2,1H3,(H,23,26)(H,24,25)
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| Chemical Name |
2-[[1-[3-(4-chlorophenyl)propylcarbamoyl]cyclopentyl]methyl]-4-methoxybutanoic 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 | 2.5258 mL | 12.6288 mL | 25.2576 mL | |
| 5 mM | 0.5052 mL | 2.5258 mL | 5.0515 mL | |
| 10 mM | 0.2526 mL | 1.2629 mL | 2.5258 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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