| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
FITC-labeled HDCA
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|---|---|
| ln Vitro |
In order to confirm the binding of 10rr to LXRβ, we conducted a fluorescence polarization assay, which demonstrated that 10rr dose-dependently inhibited the binding of FITC-hyodeoxycholic acid to LXRβ with a Ki value of 2.3 μM (Fig. 5C), suggesting that 10rr binds to LXRβ directly [1].
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| References | |
| Additional Infomation |
Rimteravimab is an immunoglobulin G1 (IgG1) monoclonal antibody targeting the spike protein (S protein) of SARS-CoV-2, with potential application value in the prevention of COVID-19. After administration, Rimteravimab specifically targets and binds to the receptor-binding domain (RBD) of the S protein, thereby blocking viral attachment and entry into human cells, potentially neutralizing SARS-CoV-2. This may slow disease progression, accelerate recovery, and possibly provide temporary protection against SARS-CoV-2 infection. Based on the co-crystal structure of our previously discovered LXRβ and its agonist (spiro[pyrrolidine-3,3'-oxindole] derivative), we designed and synthesized a compound library to explore its agonistic activity. Screening the library using a luciferase reporter assay revealed 10 LXR inverse agonists in addition to 5 LXR agonists. To elucidate its mechanism of action, we performed molecular dynamics (MD) simulations on the complex of LXR and the inverse agonist. The results showed that the conformation of H3, H11, and H12 is key to activating the agonist or inverse agonist state of LXR. The inverse agonist binds tightly to H3, pushes out H11 and destabilizes H12, thereby forming a larger hydrophobic groove to accommodate NCOR1, which in turn activates the inverse agonist effect of LXR. Further studies on the inverse agonist 10rr revealed that it can inhibit adipogenesis by downregulating LXR target genes SREBP-1c, ACC, FAS, and SCD-1, and showed lipid-lowering effects in 3T3-L1 cells, HepG2 cells, and Triton WR-1339-induced hyperlipidemic mouse models. Therefore, we have demonstrated that the LXR inverse agonist is a promising drug for the treatment of hyperlipidemia. [1]
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| Molecular Formula |
C51H65N3O8S
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|---|---|
| Molecular Weight |
880.142113447189
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| Exact Mass |
879.449
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| CAS # |
2374144-21-3
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| PubChem CID |
155530360
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
8.9
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| Hydrogen Bond Donor Count |
7
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
12
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| Heavy Atom Count |
63
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| Complexity |
1630
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| Defined Atom Stereocenter Count |
10
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| SMILES |
C[C@H](CCC(=O)NCCCCCCNC(=S)NC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O)[C@H]6CC[C@@H]7[C@@]6(CC[C@H]8[C@H]7C[C@@H]([C@H]9[C@@]8(CC[C@H](C9)O)C)O)C
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| InChi Key |
MFJKSCWIKMCTMG-RGOSNDNESA-N
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| InChi Code |
InChI=1S/C51H65N3O8S/c1-29(36-15-16-37-34-28-43(58)42-25-33(57)18-20-50(42,3)38(34)19-21-49(36,37)2)8-17-46(59)52-22-6-4-5-7-23-53-48(63)54-30-9-12-39-35(24-30)47(60)62-51(39)40-13-10-31(55)26-44(40)61-45-27-32(56)11-14-41(45)51/h9-14,24,26-27,29,33-34,36-38,42-43,55-58H,4-8,15-23,25,28H2,1-3H3,(H,52,59)(H2,53,54,63)/t29-,33-,34+,36-,37+,38+,42+,43+,49-,50-/m1/s1
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| Chemical Name |
(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[6-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]hexyl]pentanamide
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| Synonyms |
FITC-hyodeoxycholic acid; Rimteravimab; 2374144-21-3; CHEMBL4464514; 2540797-21-3;
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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: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 | 1.1362 mL | 5.6809 mL | 11.3618 mL | |
| 5 mM | 0.2272 mL | 1.1362 mL | 2.2724 mL | |
| 10 mM | 0.1136 mL | 0.5681 mL | 1.1362 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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