| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| Other Sizes |
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| ADME/Pharmacokinetics |
Metabolism / Metabolites
INDOLE UNDERGOES SCISSION OF PYRROLE RING TO YIELD N-FORMYLANTHRANILIC ACID, AN UNSTABLE COMPD WHICH DECOMP INTO ANTHRANILIC ACID & FORMIC ACID. INDOLE IS FIRST HYDROXYLATED TO GIVE INDOXYL & THEN ISATIN, & IT IS PROBABLY LATTER WHICH UNDERGOES HYDROLYTIC RING OPENING. ...INDOLE IS METABOLIZED BY RAT TO INDOXYL, OXINDOLE, 5-HYDROXYOXINDOLE & ISATIN... YIELDS 2,2-BIS(3-INDOLYL)INDOXYL IN HORSERADISH. DEOXYVIOLACEIN IN CHROMOBACTERIUM. CIS-6,7-DIHYDRO-6,7-DIHYDROXYINDOLE PROBABLY IN PSEUDOMONAS. /FROM TABLE/ YIELDS 3,3'-DIINDOLYLACETIC ACID IN PEA. O-FORMAMIDOBENZALDEHYDE IN TECOMA. 3-HYDROXYOXINDOLE IN COCCUS. /FROM TABLE/ For more Metabolism/Metabolites (Complete) data for INDOLE (10 total), please visit the HSDB record page. Indole has known human metabolites that include 6-Hydroxyindole, Indoxyl, and Oxindole. |
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| References | |
| Additional Infomation |
1H-indole is an indole and a polycyclic heteroarene. It has a role as an Escherichia coli metabolite. It is a tautomer of a 3H-indole.
Indole is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Indole has been reported in Tetrastigma hemsleyanum, Daphne odora, and other organisms with data available. Mechanism of Action The effects of heterocyclic cmpd on hepatic xenobiotic metabolizing enzymes were studied in mice. Female CD-1 mice were admin 5 u mol/kg coumarin, trimethylene oxide (TMO), or trimethylene sulfide (TMS) for 6 days by gavage, or benzofuran, indole, or indole-3-carbinol (IC) daily for 10 days. Animals were /sacrificed/ 1 or 2 days after the last dose; livers were removed and assayed for epoxide hydrolase, glutathione-S-transferase (GST), reduced NADH-quinone-reductase (NADH/QR), glucose-6-phosphate-dehydrogenase (G6PDH), glutathione-reductase (GSSG-red), uridine-diphosphate-glucose-dehydrogenase (UDPGDH), aniline-hydroxylase, 7-ethoxycoumarin-deethylase (ECOD), and cytochrome-c-reductase (cyt-c-red) activities, and cytochrome p450. All cmpd except indole, significantly enhanced epoxide hydrolase activity. GST activities were elevated by all cmpd except TMO and TMS. NADH/QR activity was incr only by coumarin and benzofuran. Indole incr only GST, UDPGDH and cyt-c-red activities. IC enhanced GST, UDPGDH, cyt-c-red, epoxide hydrolase and cytochrome p450 and related monooxygenase activities. Benzofuran and coumarin showed more varied responses. Both cmpd incr epoxide hydrolase, GST and NADH/QR activities. Benzofuran decr cytochrome p450 content and elevated ECOD activity. |
| Molecular Formula |
C8H7N
|
|---|---|
| Molecular Weight |
117.15
|
| Exact Mass |
117.057
|
| CAS # |
120-72-9
|
| Related CAS # |
Indole-d6;104959-27-5;Indole-13C;85597-55-3;Indole-13C8,15N;1337952-53-0;Indole-15N;40167-58-6;Indole-d7;73509-20-3
|
| PubChem CID |
798
|
| Appearance |
LEAFLETS (WATER, PETROLEUM), CRYSTALS (ETHER)
Colorless to yellowish scales, turning red on exposure to light and air. WHITE CRYSTALLINE SOLID Colorless, shiny flakes |
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
253.0±9.0 °C at 760 mmHg
|
| Melting Point |
51-54 °C(lit.)
|
| Flash Point |
107.8±11.3 °C
|
| Vapour Pressure |
0.0±0.5 mmHg at 25°C
|
| Index of Refraction |
1.681
|
| LogP |
2.14
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
0
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
9
|
| Complexity |
101
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
N1([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12
|
| InChi Key |
SIKJAQJRHWYJAI-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
|
| Chemical Name |
1H-indole
|
| Synonyms |
AI3 01540; AI3-01540; Indole
|
| 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 : ~100 mg/mL (~853.61 mM)
H2O : ~3.57 mg/mL (~30.47 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.75 mg/mL (23.47 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 27.5 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: ≥ 2.75 mg/mL (23.47 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 27.5 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. View More
Solubility in Formulation 3: ≥ 2.75 mg/mL (23.47 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 8.5361 mL | 42.6803 mL | 85.3606 mL | |
| 5 mM | 1.7072 mL | 8.5361 mL | 17.0721 mL | |
| 10 mM | 0.8536 mL | 4.2680 mL | 8.5361 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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