Synonym
TCA1; TCA 1; TCA-1;
IUPAC/Chemical Name
ethyl (2-(benzo[d]thiazole-2-carboxamido)thiophene-3-carbonyl)carbamate
InChi Key
ISNBJLXHBBZKSL-UHFFFAOYSA-N
InChi Code
InChI=1S/C16H13N3O4S2/c1-2-23-16(22)19-12(20)9-7-8-24-14(9)18-13(21)15-17-10-5-3-4-6-11(10)25-15/h3-8H,2H2,1H3,(H,18,21)(H,19,20,22)
SMILES Code
O=C(NC(OCC)=O)C1=C(SC=C1)NC(C2=NC3=C(S2)C=CC=C3)=O
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
375.42
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: Liu R, Lyu X, Batt SM, Hsu MH, Harbut MB, Vilchèze C, Cheng B, Ajayi K, Yang B, Yang Y, Guo H, Lin C, Gan F, Wang C, Franzblau SG, Jacobs WR Jr, Besra GS, Johnson EF, Petrassi M, Chatterjee AK, Fütterer K, Wang F. Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes. Angew Chem Int Ed Engl. 2017 Oct 9;56(42):13011-13015. doi: 10.1002/anie.201707324. Epub 2017 Sep 7. PMID: 28815830; PMCID: PMC5659129.
2: Dube PS, Legoabe LJ, Jordaan A, Jesumoroti OJ, Tshiwawa T, Warner DF, Beteck RM. Easily accessed nitroquinolones exhibiting potent and selective anti- tubercular activity. Eur J Med Chem. 2021 Mar 5;213:113207. doi: 10.1016/j.ejmech.2021.113207. Epub 2021 Jan 24. PMID: 33524688.
3: Wang P, Batt SM, Wang B, Fu L, Qin R, Lu Y, Li G, Besra GS, Huang H. Discovery of Novel Thiophene-arylamide Derivatives as DprE1 Inhibitors with Potent Antimycobacterial Activities. J Med Chem. 2021 Apr 14. doi: 10.1021/acs.jmedchem.1c00263. Epub ahead of print. PMID: 33852302.
