| Size | Price | |
|---|---|---|
| Other Sizes |
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
KINETIC ANALYSIS OF BILIARY EXCRETION OF IV DOSE OF [(3)H]METHYL ORANGE & PRODUCTS OF DEMETHYLATION (MONO- & DI-) SHOWED THAT SUCCESSIVE REMOVAL OF METHYL GROUP RESULTED IN MUCH FASTER BILIARY EXCRETION OF CMPD. BILIARY EXCRETION OF IV ADMIN METHYL ORANGE & METABOLITES, 4'-SULFO-4-METHYLAMINOAZOBENZENE & 4'-SULFO-4-AMINOAZOBENZENE, BY RATS WAS USED TO ILLUSTRATE A ONE-COMPARTMENT PHARMACOKINETIC MODEL IN WHICH A DRUG UNDERWENT 2 SUCCESSIVE METABOLIC REACTIONS. Metabolism / Metabolites YIELDS 4'-METHYLAMINOAZOBENZENE-4-SULFONIC ACID IN RAT, IN MOUSE. /FROM TABLE/ METHYL ORANGE IS CONVERTED TO N,N-DIMETHYL-P-PHENYLENEDIAMINE BY INTESTINAL ANAEROBIC BACTERIA. SULFANILIC ACID IS ANOTHER METABOLITE. |
|---|---|
| References | |
| Additional Infomation |
4-dimethylaminoazobenzene-4-sulfonic acid, sodium salt is an orange powder. (NTP, 1992)
|
| Molecular Formula |
C14H14N3NAO3S
|
|---|---|
| Molecular Weight |
327.33
|
| Exact Mass |
327.065
|
| CAS # |
547-58-0
|
| Related CAS # |
502-02-3 (Parent)
|
| PubChem CID |
23673835
|
| Appearance |
Orange to red solid powder
|
| Density |
0.987 g/mL at 25 °C
|
| Boiling Point |
100ºC
|
| Melting Point |
300 °C
|
| Flash Point |
37 °C
|
| LogP |
4.152
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
22
|
| Complexity |
448
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
S(C1C([H])=C([H])C(=C([H])C=1[H])/N=N/C1C([H])=C([H])C(=C([H])C=1[H])N(C([H])([H])[H])C([H])([H])[H])(=O)(=O)[O-].[Na+]
|
| InChi Key |
STZCRXQWRGQSJD-UHFFFAOYSA-M
|
| InChi Code |
InChI=1S/C14H15N3O3S.Na/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20;/h3-10H,1-2H3,(H,18,19,20);/q;+1/p-1
|
| Chemical Name |
sodium;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate
|
| Synonyms |
Methyl Orange NSC9416 NSC-9416NSC 9416
|
| 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) |
DMSO : ~62.5 mg/mL (~190.94 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.35 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (6.35 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.0550 mL | 15.2751 mL | 30.5502 mL | |
| 5 mM | 0.6110 mL | 3.0550 mL | 6.1100 mL | |
| 10 mM | 0.3055 mL | 1.5275 mL | 3.0550 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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