| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
SOAT1: sterol O-acyltransferase 1
Desmethyl nevanimibe has no defined biological target; it is a synthetic intermediate. The final drug candidate, nevanimibe, is an inhibitor of sterol O-acyltransferase 1 (SOAT1, also known as ACAT1). SOAT1 is an endoplasmic reticulum enzyme that catalyzes the formation of cholesteryl esters from cholesterol and fatty acyl-CoA. Inhibition of SOAT1 may have applications in the treatment of atherosclerosis, hyperlipidemia, and cancer. The desmethyl derivative is a precursor that is methylated to form the active nevanimibe. |
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| ln Vitro |
Not applicable. Desmethyl nevanimibe is not a drug and has no direct in vitro biological activity as a therapeutic agent. It is a chemical intermediate and is not evaluated in standard enzyme inhibition or cell viability assays for drug discovery. Its role is in the synthesis of the SOAT1 inhibitor nevanimibe, which is then tested for biological activity. Specific IC₅0 values are not applicable.
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| ln Vivo |
Not applicable. Desmethyl nevanimibe is not intended for in vivo use as a drug. It is a chemical intermediate. It is used in the synthesis of the SOAT1 inhibitor nevanimibe. In vivo biological activity would be determined by the final drug molecule (nevanimibe), not by the intermediate itself. No therapeutic in vivo activity is reported.
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| Enzyme Assay |
Not applicable. Desmethyl nevanimibe is a chemical intermediate, not a standard enzyme inhibitor. Its purity (>98%) is assessed by HPLC. The structure is confirmed by ¹H NMR, ¹3C NMR, and mass spectrometry (ESI-MS, expected [M+H]+ m/z 385). Physicochemical properties: MW 384.43, white to off-white solid powder, soluble in DMSO. No biological assays are applicable.
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| Cell Assay |
Not applicable. Desmethyl nevanimibe is not used in standard cell-based assays for drug discovery. For toxicity screening, HepG2 or HEK293 cells are seeded in 96-well plates (1×10⁴ cells/well) and treated with the compound (1-1000 uM) for 24-72 h. Cell viability is measured by MTT assay. The CC₅0 is expected to be >200 uM, indicating low to moderate cytotoxicity. The compound is a synthetic intermediate, not a test agent for pharmacological studies.
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| Animal Protocol |
No in vivo animal protocol for Desmethyl nevanimibe exists, as it is a synthetic intermediate, not a drug candidate. For acute toxicity testing, female Sprague-Dawley rats (n=3-5 per dose) are administered a single oral dose of the compound in 0.5% methylcellulose at 500, 1000, 2000, 5000 mg/kg and observed for 14 days for mortality and clinical signs. The LD₅0 is expected to be >2000 mg/kg (low acute toxicity). This protocol is not typically performed for this compound.
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| ADME/Pharmacokinetics |
No PK data for Desmethyl nevanimibe is available, as it is an intermediate, not a drug. It is not intended for systemic administration. The compound is a synthetic intermediate for the SOAT1 inhibitor nevanimibe. For research use, it is stored at -20degC in a tightly sealed container, protected from light and moisture.
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| Toxicity/Toxicokinetics |
For Desmethyl nevanimibe, hazard statements: H315 (Causes skin irritation), H319 (Causes serious eye irritation), H335 (May cause respiratory irritation). Signal word: Warning. Precautionary statements: P261 (Avoid breathing dust/fume/gas/mist/vapors/spray), P280 (Wear protective gloves/protective clothing/eye protection/face protection), P305+P351+P338 (IF IN EYES: Rinse cautiously with water for several minutes). Storage: at -20degC, sealed, protect from light.
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| References | |
| Additional Infomation |
Desmethyl nevanimibe (compound 5) is the desmethyl precursor used in the radiosynthesis of the SOAT1 imaging agent [¹¹C]PD-132301 [1].
It was synthesized via a three-step route: (1) treatment of aniline 2 with di-tert-butyl dicarbonate (Boc₂O) to form tert-butyl carbamate 6; (2) global reduction with lithium aluminum hydride to produce amine 7; (3) coupling of amine 7 with 2,6-diisopropylphenyl isocyanate to afford the desmethyl precursor 5 [1]. Desmethyl nevanimibe (Compound 5, CAS# 2419904-59-7) is a research-grade synthetic intermediate for the SOAT1 inhibitor nevanimibe. It is not an FDA-approved drug. For research and industrial synthesis use only, not for diagnostic or therapeutic applications. Purity: ≥98%. Storage: -20degC, sealed, protect from light. |
| Molecular Formula |
C26H37N3O
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|---|---|
| Molecular Weight |
407.59
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| Exact Mass |
407.294
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| CAS # |
2419904-59-7
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| PubChem CID |
172677324
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| Appearance |
White to off-white solid powder
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| LogP |
6.5
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
30
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| Complexity |
516
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCC2)C3=CC=C(C=C3)NC
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| InChi Key |
PHHYUIQRDLXGBC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H37N3O/c1-18(2)22-9-8-10-23(19(3)4)24(22)29-25(30)28-17-26(15-6-7-16-26)20-11-13-21(27-5)14-12-20/h8-14,18-19,27H,6-7,15-17H2,1-5H3,(H2,28,29,30)
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| Chemical Name |
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-[4-(methylamino)phenyl]cyclopentyl]methyl]urea
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| Synonyms |
2419904-59-7; Desmethyl nevanimibe; orb2814425
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 | 2.4534 mL | 12.2672 mL | 24.5345 mL | |
| 5 mM | 0.4907 mL | 2.4534 mL | 4.9069 mL | |
| 10 mM | 0.2453 mL | 1.2267 mL | 2.4534 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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