Synonym
I-A09; IA09; IA09; I-A-09; IA 09;
IUPAC/Chemical Name
6-hydroxy-3-(1-(2-((4-morpholinophenyl)amino)-2-oxoethyl)-1H-1,2,3-triazol-4-yl)-2-phenylbenzofuran-5-carboxylic acid
InChi Key
XDUPIYKMBPUQSZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C29H25N5O6/c35-24-15-25-22(14-21(24)29(37)38)27(28(40-25)18-4-2-1-3-5-18)23-16-34(32-31-23)17-26(36)30-19-6-8-20(9-7-19)33-10-12-39-13-11-33/h1-9,14-16,35H,10-13,17H2,(H,30,36)(H,37,38)
SMILES Code
OC1=C(C=C2C(OC(C3=CC=CC=C3)=C2C4=CN(N=N4)CC(NC5=CC=C(C=C5)N6CCOCC6)=O)=C1)C(O)=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
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
Preparing Stock Solutions
The following data is based on the
product
molecular weight
539.54
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: Addla D, Jallapally A, Gurram D, Yogeeswari P, Sriram D, Kantevari S. Design, synthesis and evaluation of 1,2,3-triazole-adamantylacetamide hybrids as potent inhibitors of Mycobacterium tuberculosis. Bioorg Med Chem Lett. 2014 Apr 15;24(8):1974-9. doi: 10.1016/j.bmcl.2014.02.061. Epub 2014 Mar 12. PubMed PMID: 24679703.
2: Addla D, Jallapally A, Gurram D, Yogeeswari P, Sriram D, Kantevari S. Rational design, synthesis and antitubercular evaluation of novel 2-(trifluoromethyl)phenothiazine-[1,2,3]triazole hybrids. Bioorg Med Chem Lett. 2014 Jan 1;24(1):233-6. doi: 10.1016/j.bmcl.2013.11.031. Epub 2013 Nov 21. PubMed PMID: 24314670.
3: Zhou B, He Y, Zhang X, Xu J, Luo Y, Wang Y, Franzblau SG, Yang Z, Chan RJ, Liu Y, Zheng J, Zhang ZY. Targeting mycobacterium protein tyrosine phosphatase B for antituberculosis agents. Proc Natl Acad Sci U S A. 2010 Mar 9;107(10):4573-8. doi: 10.1073/pnas.0909133107. Epub 2010 Feb 18. PubMed PMID: 20167798; PubMed Central PMCID: PMC2842023.
