| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
The molecular targets are neutral endopeptidase (NEP/neprilysin) and endothelin-converting enzyme (ECE), where thiorphan acts as a competitive inhibitor with IC50 values in the low nanomolar range; NEP inhibition increases natriuretic peptide and bradykinin levels, producing natriuresis, vasodilation, and analgesia, while ECE inhibition reduces endothelin-1 production.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
In vitro, thiorphan-d5 inhibits recombinant human NEP and ECE with IC50 values in the low nanomolar range, increases atrial natriuretic peptide and bradykinin levels in tissue homogenates, and potentiates the analgesic effects of endogenous opioids by inhibiting enkephalin degradation; the deuterated form retains NEP/ECE inhibitory activity while enabling LC-MS/MS quantification. |
| ln Vivo |
In vivo, oral or parenteral thiorphan-d5 produces natriuresis and diuresis, lowers blood pressure in hypertensive models, and potentiates opioid analgesia in rodent pain models; it also reduces endothelin-1 levels and attenuates cardiac remodeling in some models, and the labeled form is used to quantify plasma and tissue concentrations and NEP/ECE occupancy.
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| Enzyme Assay |
Noncellular NEP and ECE inhibition assays incubate recombinant human NEP or ECE with a fluorogenic or chromogenic peptide substrate and increasing concentrations of thiorphan-d5; substrate hydrolysis is measured spectrophotometrically or by HPLC, and IC50 values are derived, with selectivity assessed against other zinc metallopeptidases such as ACE and aminopeptidase N.
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| Cell Assay |
Cellular assays use renal epithelial cells or endothelial cells treated with thiorphan-d5; natriuretic peptide and bradykinin levels in conditioned medium are measured by enzyme immunoassay, NEP activity in cell lysates is quantified with a fluorogenic substrate, and endothelin-1 production is measured by ELISA.
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| Animal Protocol |
Animal protocols administer thiorphan-d5 orally or intravenously to rats or mice at doses of 1–30 mg/kg; urinary sodium excretion, blood pressure, and nociceptive thresholds are measured, and plasma and tissue concentrations of thiorphan and natriuretic peptides are quantified by LC-MS/MS to relate NEP/ECE inhibition to renal, cardiovascular, and analgesic effects.
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| References |
| Molecular Formula |
C12H15NO3S
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|---|---|
| Molecular Weight |
258.348210573196
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| Exact Mass |
258.108
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| CAS # |
2183240-70-0
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| Related CAS # |
Thiorphan;76721-89-6
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| PubChem CID |
131674206
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
524.0±50.0 °C at 760 mmHg
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| Flash Point |
270.7±30.1 °C
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| Vapour Pressure |
0.0±1.4 mmHg at 25°C
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| Index of Refraction |
1.577
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| LogP |
1.37
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| tPSA |
67.4
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
17
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| Complexity |
265
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| Defined Atom Stereocenter Count |
0
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| SMILES |
SCC(C(NCC(=O)O)=O)CC1C([2H])=C([2H])C([2H])=C([2H])C=1[2H]
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| InChi Key |
LJJKNPQAGWVLDQ-RALIUCGRSA-N
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| InChi Code |
InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/i1D,2D,3D,4D,5D
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| Chemical Name |
2-[[2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]-3-sulfanylpropanoyl]amino]acetic 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 | 3.8707 mL | 19.3536 mL | 38.7072 mL | |
| 5 mM | 0.7741 mL | 3.8707 mL | 7.7414 mL | |
| 10 mM | 0.3871 mL | 1.9354 mL | 3.8707 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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