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MedKoo Cat#: 563577 | Name: AqB011

Description:

WARNING: This product is for research use only, not for human or veterinary use.

AqB011 is a selective blocker of the Aquaporin-1 ion channel conductance, slowing cancer cell migration.

Chemical Structure

AqB011
CAS#1021869-49-7

Theoretical Analysis

MedKoo Cat#: 563577

Name: AqB011

CAS#: 1021869-49-7

Chemical Formula: C23H26N4O4S

Exact Mass: 454.1675

Molecular Weight: 454.54

Elemental Analysis: C, 60.78; H, 5.77; N, 12.33; O, 14.08; S, 7.05

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
AqB011; AqB-011; AqB 011;
IUPAC/Chemical Name
3-Butylamino-4-phenoxy-N-pyridin-3-ylmethyl-5-sulfamoyl-benzamide
InChi Key
FCBYGHMZVBDKMC-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H26N4O4S/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)
SMILES Code
O=C(NCC1=CC=CN=C1)C2=CC(S(=O)(N)=O)=C(OC3=CC=CC=C3)C(NCCCC)=C2
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 454.54 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.

Recalculate based on batch purity %
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: 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. eCollection 2018. PubMed PMID: 29755973; PubMed Central PMCID: PMC5934433. 2: 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. PubMed PMID: 29193257. 3: 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. PubMed PMID: 26467039.