Details
Stereochemistry | ACHIRAL |
Molecular Formula | C2H3N3S2 |
Molecular Weight | 133.195 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
NC1=NN=C(S)S1
InChI
InChIKey=GDGIVSREGUOIJZ-UHFFFAOYSA-N
InChI=1S/C2H3N3S2/c3-1-4-5-2(6)7-1/h(H2,3,4)(H,5,6)
Molecular Formula | C2H3N3S2 |
Molecular Weight | 133.195 |
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/15837323Curator's Comment: The description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/25448967 | https://www.ncbi.nlm.nih.gov/pubmed/24494064 | https://www.ncbi.nlm.nih.gov/pubmed/18693019 | https://www.ncbi.nlm.nih.gov/pubmed/23093480
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15837323
Curator's Comment: The description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/25448967 | https://www.ncbi.nlm.nih.gov/pubmed/24494064 | https://www.ncbi.nlm.nih.gov/pubmed/18693019 | https://www.ncbi.nlm.nih.gov/pubmed/23093480
5-Amino-1,3,4-thiadiazole-2-thiol is a thiadiazole derivative with antibacterial activity used in the preparation of herbicides as well as carbonic anhydrase inhibitors.
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL261 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15837323 |
7.1 µM [Ki] | ||
Target ID: CHEMBL205 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15837323 |
9.2 µM [Ki] | ||
Target ID: CHEMBL3594 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15837323 |
9.3 µM [Ki] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
PubMed
Title | Date | PubMed |
---|---|---|
Carbonic anhydrase inhibitors. Inhibition of the cytosolic and tumor-associated carbonic anhydrase isozymes I, II, and IX with a series of 1,3,4-thiadiazole- and 1,2,4-triazole-thiols. | 2005 May 2 |
|
2-Amino-5-sulfanyl-1,3,4-thiadiazoles: a new series of selective cyclooxygenase-2 inhibitors. | 2008 Sep |
|
Alkali-hydroxide-doped matrices for structural characterization of neutral underivatized oligosaccharides by MALDI time-of-flight mass spectrometry. | 2009 Mar |
|
Electropolymerized film of functionalized thiadiazole on glassy carbon electrode for the simultaneous determination of ascorbic acid, dopamine and uric acid. | 2009 Nov |
|
Immobilization of 5-amino-1,3,4-thiadiazole-thiol onto kanemite for thorium(IV) removal: thermodynamics and equilibrium study. | 2009 Oct 1 |
|
Solvent-assisted slow conversion of a dithiazole derivative produces a competitive inhibitor of peptide deformylase. | 2010 Apr |
Sample Use Guides
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15837323
Applied Photophysics stopped-flow instrument has been used for measuring the initial velocities for the CO2 hydration reaction catalyzed by different CA isozymes, by following the change in absorbance of a pH indicator.Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Hepes (pH 7.5) as buffer, 0.1 M Na2SO4 (for maintaining constant the ionic strength), following the CA-catalyzed CO2 hydration reaction for a period of 10–100 s.Saturated CO2 solutions in water at 20 C were used as the substrate. The CO2 concentrations ranged from 1.7 to 17 mM for the determination of the inhibition constants. For each inhibitor at least six traces of the initial 5–10% of the reaction have been used for determining the initial velocity. The uncatalyzed rates were determined in the same manner and subtracted from the total observed rates. The kinetic constants kcat and kcat/Km were obtained by non-linear least-squares methods using PRISM 3.Stock solutions of inhibitors (5-Amino-1,3,4-thiadiazole-2-thiol, compound 2) were prepared at a concentration of 1–3 mM (in DMSO–water 1:1, v/v) and dilutions up to 0.01 nM done with the assay buffer.
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 07:10:41 GMT 2023
by
admin
on
Sat Dec 16 07:10:41 GMT 2023
|
Record UNII |
B1HEG7V21S
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Code | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Code | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English |
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
2723847
Created by
admin on Sat Dec 16 07:10:42 GMT 2023 , Edited by admin on Sat Dec 16 07:10:42 GMT 2023
|
PRIMARY | |||
|
2349-67-9
Created by
admin on Sat Dec 16 07:10:42 GMT 2023 , Edited by admin on Sat Dec 16 07:10:42 GMT 2023
|
PRIMARY | |||
|
DTXSID1051486
Created by
admin on Sat Dec 16 07:10:42 GMT 2023 , Edited by admin on Sat Dec 16 07:10:42 GMT 2023
|
PRIMARY | |||
|
209061
Created by
admin on Sat Dec 16 07:10:42 GMT 2023 , Edited by admin on Sat Dec 16 07:10:42 GMT 2023
|
PRIMARY | |||
|
21402
Created by
admin on Sat Dec 16 07:10:42 GMT 2023 , Edited by admin on Sat Dec 16 07:10:42 GMT 2023
|
PRIMARY | |||
|
B1HEG7V21S
Created by
admin on Sat Dec 16 07:10:42 GMT 2023 , Edited by admin on Sat Dec 16 07:10:42 GMT 2023
|
PRIMARY | |||
|
DB12348
Created by
admin on Sat Dec 16 07:10:42 GMT 2023 , Edited by admin on Sat Dec 16 07:10:42 GMT 2023
|
PRIMARY | |||
|
219-078-4
Created by
admin on Sat Dec 16 07:10:42 GMT 2023 , Edited by admin on Sat Dec 16 07:10:42 GMT 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
PARENT -> IMPURITY |
UNSPECIFIED IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|