| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg | |||
| Other Sizes |
| Targets |
Dihydrocephalomannine targets tubulin, a key component of the cytoskeleton involved in cell division, similar to paclitaxel. It binds to the β-tubulin subunit of microtubules, stabilizing them and preventing depolymerization, which leads to cell cycle arrest in the G2/M phase. However, compared to paclitaxel, dihydrocephalomannine shows reduced tubulin binding affinity and decreased cytotoxicity. This makes it a less potent but also less toxic analog of paclitaxel.
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|---|---|
| ln Vitro |
In vitro, dihydrocephalomannine shows reduced cytotoxicity and tubulin binding compared to paclitaxel. As a paclitaxel analog, it is expected to exhibit anticancer activity through microtubule stabilization, though with lower potency. Its activity is typically evaluated in cell-based assays using various cancer cell lines, where it would induce cell cycle arrest and apoptosis. However, specific IC50 values for dihydrocephalomannine against cancer cell lines are not detailed in the available literature.
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| ln Vivo |
In vivo activity of dihydrocephalomannine has not been extensively studied, as the compound is primarily used as a reference standard and impurity marker. As a paclitaxel analog with reduced cytotoxicity, it would be expected to have lower in vivo efficacy compared to paclitaxel. Its primary use is in analytical and quality control applications rather than therapeutic studies. Specific in vivo data, including dosing regimens and animal models, are not available in the published literature.
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| Enzyme Assay |
Cell-free assays for dihydrocephalomannine typically involve analytical characterization rather than biological activity measurements. The compound's identity and purity are confirmed by HPLC, NMR, and mass spectrometry. It is used as a reference standard in chromatographic methods for the analysis of paclitaxel and its impurities. Tubulin binding assays could be performed using purified tubulin protein and spectrophotometric methods to assess microtubule polymerization, but specific protocols for this compound are not detailed in the available literature.
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| Cell Assay |
In vitro cellular assays for dihydrocephalomannine are not typically performed, as the compound is primarily used as a reference standard. If studied, cancer cell lines would be treated with various concentrations of the compound, and cell viability would be assessed using MTT or similar assays. Cytotoxicity would be compared to paclitaxel. However, specific assay protocols for this compound are not documented in the available literature. The compound is intended for analytical and research use only.
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| Animal Protocol |
In vivo animal studies for dihydrocephalomannine are not typically conducted, as the compound is primarily used as a reference standard. As a paclitaxel analog with reduced cytotoxicity, it would be expected to have lower efficacy in tumor models compared to paclitaxel. Its primary application is in pharmaceutical quality control and impurity profiling, not in therapeutic or pharmacological studies. Specific in vivo data are not available in the published literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of dihydrocephalomannine include a molecular weight of 833.92 g/mol, molecular formula C45H55NO14, and purity ≥98%. It has a density of 1.4±0.1 g/cm3, boiling point of 922.6±65.0 °C, and LogP of 6.5. As a paclitaxel analog, it is expected to have similar physicochemical properties, including poor aqueous solubility. The compound is typically stored as a solid at room temperature or at appropriate conditions as a reference standard.
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| Toxicity/Toxicokinetics |
The toxicity profile of dihydrocephalomannine is characterized by reduced cytotoxicity compared to paclitaxel. This makes it a less toxic analog, which is relevant for its use as an impurity reference standard. The compound is intended for research and analytical use only and not for therapeutic applications. Standard safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
Dihydrocephalomannine is a paclitaxel analog and impurity with reduced cytotoxicity and tubulin binding compared to paclitaxel. It is used as a reference standard and impurity marker (Paclitaxel Impurity R) in pharmaceutical quality control. Its molecular formula is C45H55NO14 with a molecular weight of 833.92 g/mol. Dihydrocephalomannine is strictly a research and analytical tool, not for therapeutic use.
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| Molecular Formula |
C₄₅H₅₅NO₁₄
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|---|---|
| Molecular Weight |
833.92
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| Exact Mass |
833.362
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| CAS # |
159001-25-9
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| PubChem CID |
10509711
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
922.6±65.0 °C at 760 mmHg
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| Flash Point |
511.8±34.3 °C
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| Vapour Pressure |
0.0±0.3 mmHg at 25°C
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| Index of Refraction |
1.606
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| LogP |
6.5
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
14
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| Rotatable Bond Count |
15
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| Heavy Atom Count |
60
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| Complexity |
1730
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| Defined Atom Stereocenter Count |
11
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| SMILES |
O1C[C@@]2(C1CC([C@@]1(C)C(C(C3=C(C)C(C[C@](C3(C)C)(C(C21)OC(C1C=CC=CC=1)=O)O)OC(C(C(C1C=CC=CC=1)NC(C(C)CC)=O)O)=O)OC(C)=O)=O)O)OC(C)=O
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| InChi Key |
OKEKLOJNCOIPIT-DYMXBOOHSA-N
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| InChi Code |
InChI=1S/C45H55NO14/c1-9-23(2)39(52)46-33(27-16-12-10-13-17-27)34(50)41(54)58-29-21-45(55)38(59-40(53)28-18-14-11-15-19-28)36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32(24(29)3)42(45,6)7/h10-19,23,29-31,33-36,38,49-50,55H,9,20-22H2,1-8H3,(H,46,52)/t23?,29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1
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| Chemical Name |
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-(2-methylbutanoylamino)-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
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| Synonyms |
Dihydrocephalomannine N-Debenzoyl-N-α-methylbutyrylpaclitaxel
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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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 | 1.1992 mL | 5.9958 mL | 11.9916 mL | |
| 5 mM | 0.2398 mL | 1.1992 mL | 2.3983 mL | |
| 10 mM | 0.1199 mL | 0.5996 mL | 1.1992 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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