Synonym
AqB011 hydrochloride
IUPAC/Chemical Name
3-(butylamino)-4-phenoxy-N-(pyridin-3-ylmethyl)-5-sulfamoylbenzamide hydrochloride
InChi Key
SWIJKKBMZNUKEJ-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H26N4O4S.ClH/c1-2-3-12-26-20-13-18(23(28)27-16-17-8-7-11-25-15-17)14-21(32(24,29)30)22(20)31-19-9-5-4-6-10-19;/h4-11,13-15,26H,2-3,12,16H2,1H3,(H,27,28)(H2,24,29,30);1H
SMILES Code
O=C(NCC1=CC=CN=C1)C2=CC(S(=O)(N)=O)=C(OC3=CC=CC=C3)C(NCCCC)=C2.[H]Cl
Appearance
To be determined
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
491.00
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: Chow PH, Cox CD, Pei JV, Anabaraonye N, Nourmohammadi S, Henderson SW, Martinac B, Abdulmalik O, Yool AJ. Inhibition of the Aquaporin-1 Cation Conductance by Selected Furan Compounds Reduces Red Blood Cell Sickling. Front Pharmacol. 2022 Jan 17;12:794791. doi: 10.3389/fphar.2021.794791. PMID: 35111062; PMCID: PMC8801817.
2: De Ieso ML, Pei JV, Nourmohammadi S, Smith E, Chow PH, Kourghi M, Hardingham JE, Yool AJ. Combined pharmacological administration of AQP1 ion channel blocker AqB011 and water channel blocker Bacopaside II amplifies inhibition of colon cancer cell migration. Sci Rep. 2019 Sep 2;9(1):12635. doi: 10.1038/s41598-019-49045-9. PMID: 31477744; PMCID: PMC6718670.
3: Pei JV, Heng S, De Ieso ML, Sylvia G, Kourghi M, Nourmohammadi S, Abell AD, Yool AJ. Development of a Photoswitchable Lithium-Sensitive Probe to Analyze Nonselective Cation Channel Activity in Migrating Cancer Cells. Mol Pharmacol. 2019 May;95(5):573-583. doi: 10.1124/mol.118.115428. Epub 2019 Mar 11. PMID: 30858164.
4: Kourghi M, De Ieso ML, Nourmohammadi S, Pei JV, Yool AJ. Identification of Loop D Domain Amino Acids in the Human Aquaporin-1 Channel Involved in Activation of the Ionic Conductance and Inhibition by AqB011. Front Chem. 2018 Apr 27;6:142. doi: 10.3389/fchem.2018.00142. PMID: 29755973; PMCID: PMC5934433.
5: Kourghi M, Pei JV, De Ieso ML, Nourmohammadi S, Chow PH, Yool AJ. Fundamental structural and functional properties of Aquaporin ion channels found across the kingdoms of life. Clin Exp Pharmacol Physiol. 2018 Apr;45(4):401-409. doi: 10.1111/1440-1681.12900. Epub 2018 Jan 11. PMID: 29193257.
6: Kourghi M, Pei JV, De Ieso ML, Flynn G, Yool AJ. Bumetanide Derivatives AqB007 and AqB011 Selectively Block the Aquaporin-1 Ion Channel Conductance and Slow Cancer Cell Migration. Mol Pharmacol. 2016 Jan;89(1):133-40. doi: 10.1124/mol.115.101618. Epub 2015 Oct 14. PMID: 26467039; PMCID: PMC6067643.
