Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C7H5N3O2S |
| Molecular Weight | 195.199 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC1=NC2=CC=C(C=C2S1)[N+]([O-])=O
InChI
InChIKey=GPNAVOJCQIEKQF-UHFFFAOYSA-N
InChI=1S/C7H5N3O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H,(H2,8,9)
| Molecular Formula | C7H5N3O2S |
| Molecular Weight | 195.199 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
2-Amino-6-nitrobenzothiazole is an important intermediate product for the preparation of valuable azo dyestuffs. It has demonstrated in vitro antiprotozoal effect against Trichomonas vaginalis. 2-Amino-6-nitrobenzothiazole has been used:
• as model analyte for voltammetric determination of electrochemically reducible organic substances
• in the synthesis of 2-methyl-4-nitro-2H-pyrazole-3-carboxylic acid[2-(cyclohexanecarbonylamino)benzothiazol-6-yl]amide derivatives
• in the preparation of push-pull nonlinear optical chromophores containing thiazole and benzothiazole acceptors
• as a base in dye production by diazotation reaction.
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL6194 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21126022 |
3.0 µM [Ki] | ||
Target ID: CHEMBL612884 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25801157 |
0.625 µM [IC50] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Primary | Unknown Approved UseUnknown |
Sample Use Guides
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/25801157
2-Amino-6-nitrobenzothiazole inhibited Trichomonas vaginalis growth in vitro with IC50 value of 625 nM.
| Substance Class |
Chemical
Created
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admin
on
Edited
Mon Mar 31 18:46:56 GMT 2025
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on
Mon Mar 31 18:46:56 GMT 2025
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4321510DG9
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| Record Status |
Validated (UNII)
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