| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg | |||
| Other Sizes |
| Targets |
No specific target for this degradant; the parent Avermectin B1a targets glutamate-gated chloride channels in invertebrates; this degraded form has negligible activity.
|
|---|---|
| ln Vitro |
No significant biological activity as a degradation product; serves as a marker for parent drug stability and environmental persistence.
|
| ln Vivo |
No significant in vivo activity; its formation and elimination are studied in pharmacokinetic and environmental fate studies.
|
| Enzyme Assay |
Stability-indicating HPLC method: analyze samples by reverse-phase HPLC with UV detection (typically 245 nm) using a C18 column and gradient elution to separate the degradation product from the parent drug.
|
| Cell Assay |
Not applicable; cell-based assays are not performed for this compound. Instead, microbiological assays (e.g., against C. elegans) may be used to confirm loss of activity in degraded samples.
|
| Animal Protocol |
Administer Avermectin B1a to animals, collect excreta and tissues over time, and analyze samples by LC-MS/MS to identify and quantify degradation products like this one.
|
| ADME/Pharmacokinetics |
No specific PK data; its formation and clearance reflect the metabolism and degradation of Avermectin B1a in vivo and in the environment.
|
| Toxicity/Toxicokinetics |
No direct toxicity data; its toxicity is considered to be lower than that of the parent Avermectin B1a due to chemical modification and loss of activity.
|
| Additional Infomation |
This compound is an analytical standard for monitoring the degradation of Avermectin B1a in pharmaceutical formulations, biological samples, and environmental matrices. It has no therapeutic use.
|
| Molecular Formula |
C48H72O15
|
|---|---|
| Molecular Weight |
889.076296806335
|
| Exact Mass |
888.487
|
| CAS # |
96722-46-2
|
| PubChem CID |
171370808
|
| Appearance |
White to off-white solid powder
|
| LogP |
3.3
|
| Hydrogen Bond Donor Count |
4
|
| Hydrogen Bond Acceptor Count |
15
|
| Rotatable Bond Count |
8
|
| Heavy Atom Count |
63
|
| Complexity |
1760
|
| Defined Atom Stereocenter Count |
19
|
| SMILES |
CC[C@@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C\4/C(O[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C
|
| InChi Key |
ORIHAMOZRDYFCM-WYRCDYJLSA-N
|
| InChi Code |
InChI=1S/C48H72O15/c1-11-24(2)42-27(5)17-18-47(63-42)23-32-20-31(62-47)16-15-26(4)41(59-38-22-36(55-10)43(30(8)57-38)60-37-21-35(54-9)40(50)29(7)56-37)25(3)13-12-14-33-45(51)61-44-39(49)28(6)19-34(46(52)58-32)48(33,44)53/h12-15,17-19,24-25,27,29-32,34-45,49-51,53H,11,16,20-23H2,1-10H3/b13-12+,26-15+,33-14-/t24-,25+,27+,29+,30+,31-,32+,34+,35+,36+,37+,38+,39-,40+,41+,42-,43+,44-,45?,47-,48-/m1/s1
|
| Chemical Name |
(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2R)-butan-2-yl]-18',21',24'-trihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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
|
|---|---|
| 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 | 1.1248 mL | 5.6238 mL | 11.2476 mL | |
| 5 mM | 0.2250 mL | 1.1248 mL | 2.2495 mL | |
| 10 mM | 0.1125 mL | 0.5624 mL | 1.1248 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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