I-A09

    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.


Chemical Structure

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I-A09
CAS# 1143579-76-3

Theoretical Analysis

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

Size Price Shipping out time Quantity
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Pricing updated 2021-03-05. Prices are subject to change without notice.

I-A09 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.

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

Handling Instructions:

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.

Select a batch to recalculate based on the batch molecular weight:
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

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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.