WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H130306
CAS#: 1021869-49-7 (free base)
Description: AqB011 hydrochloride blocks the AQP1 ion channel, serving as a potential treatment for sickle cell disease in combination with 5-NMFC, an agent responsible for the modification of hemoglobin.
Hodoodo Cat#: H130306
Name: AqB011 hydrochloride
CAS#: 1021869-49-7 (free base)
Chemical Formula: C23H27ClN4O4S
Exact Mass: 490.14
Molecular Weight: 491.000
Elemental Analysis: C, 56.26; H, 5.54; Cl, 7.22; N, 11.41; O, 13.03; S, 6.53
This product is not in stock, which may be available by custom synthesis.
For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge).
Quote less than 1g will not be provided. To request quote, please email to sales @hodoodo.com or click below button.
Note: Price will be listed if it is available in the future.
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
More Info:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
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 |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
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.
