WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 563304
CAS#: 1143579-76-3
Description: I-A09 is a noncompetitive inhibitor of mPTPB.
MedKoo Cat#: 563304
Name: I-A09
CAS#: 1143579-76-3
Chemical Formula: C29H25N5O6
Exact Mass: 539.1805
Molecular Weight: 539.54
Elemental Analysis: C, 64.56; H, 4.67; N, 12.98; O, 17.79
This product is not in stock, which may be available by custom synthesis.
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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
Appearance: Solid powder
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
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.
