Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C13H17N |
| Molecular Weight | 187.2808 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1CCC(=CC1)C2=CC=CC=C2C
InChI
InChIKey=BORHNVHYIYTKKC-UHFFFAOYSA-N
InChI=1S/C13H17N/c1-11-5-3-4-6-13(11)12-7-9-14(2)10-8-12/h3-7H,8-10H2,1-2H3
| Molecular Formula | C13H17N |
| Molecular Weight | 187.2808 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/3486770Curator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/2888874
Sources: https://www.ncbi.nlm.nih.gov/pubmed/3486770
Curator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/2888874
2'-CH3-MPTP is an extremely potent dopaminergic neurotoxin, which lead to large decrements in the neostriatal concent of DA and a large loss in the capacity of a neostriatal synaptosomal preparations to take up [3H]DA. 2'CH3-MPTP-induced neurotoxicity, was attenuated by pretreatment of mice with dopamine uptake inhibitor, and non-specific MAO-A and MAO-B inhibitor, but not by a specific MAO-B inhibitor. The mechanism of toxicity is formation of a metabolite 2'CH3-MPP+, which is a potent inhibitor of mitochondrial respiration.
CNS Activity
Sources: https://www.ncbi.nlm.nih.gov/pubmed/3486770
Curator's Comment: Known to be CNS active in mice. Human data not available.
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL2095205 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2888874 |
|||
Target ID: CHEMBL4271 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18220329 |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/3486770
Dopaninergic toxicity of 2'-CH3-MPTP was studied in mice. The mice were injected intraperitoneally with 2'-CH3-MPTP hydrochloride at 9 a.m. and again at 3 p.m.; the dose for each injection was 0.113 mmol/kg. Injections of 2'-CH3-MPTP lead to a very large decrement in neostriatal DA content and a very large and parallel decrement of [3H]DA uptake.
Route of Administration:
Intraperitoneal
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/18220329
DA uptake inhibition was shown using resealed bovine chromaffin granule ghosts. Washed membranes were isolated and purified. The released granule ghosts were incubated for 30 °C for 10 min, and the desired concentrations of the inhibitor were adde to the mixture. The uptake reaction was initiated by the addition of the desired concentration of DA. 2'-CH3-MPTP inhbited DA uptake with Ki of 38.4 uM.
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 19:52:54 GMT 2025
by
admin
on
Mon Mar 31 19:52:54 GMT 2025
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| Record UNII |
HGQ85CV4U5
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| Record Status |
Validated (UNII)
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HGQ85CV4U5
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102417-86-7
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91767
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