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MedKoo Cat#: 564695 | Name: AqB007

Description:

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

AqB007 is a selective blocker of the Aquaporin-1 ion channel conductance, thereby slowing cancer cell migration.

Chemical Structure

AqB007
CAS#1021869-45-3

Theoretical Analysis

MedKoo Cat#: 564695

Name: AqB007

CAS#: 1021869-45-3

Chemical Formula: C24H35N5O4S

Exact Mass: 489.2410

Molecular Weight: 489.64

Elemental Analysis: C, 58.87; H, 7.21; N, 14.30; O, 13.07; S, 6.55

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 #
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Synonym
AqB-007; AqB 007; Aq-B007; AqB007
IUPAC/Chemical Name
3-Butylamino-N-[2-(4-methyl-piperazin-1-yl)-ethyl]-4-phenoxy-5-sulfamoyl-benzamide
InChi Key
JCXWCRAMYLTXFG-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H35N5O4S/c1-3-4-10-26-21-17-19(24(30)27-11-12-29-15-13-28(2)14-16-29)18-22(34(25,31)32)23(21)33-20-8-6-5-7-9-20/h5-9,17-18,26H,3-4,10-16H2,1-2H3,(H,27,30)(H2,25,31,32)
SMILES Code
O=C(NCCN1CCN(C)CC1)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
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 489.64 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, 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; PubMed Central PMCID: PMC6067643.