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

MedKoo CAT#: 464580

CAS#: unknown

Description: ABA-X-BY630 is a potent fluorescent agonist of the human A1 or A3 adenosine receptors, (dissociation constants: A1 and A3 receptors were approximately 50 and 10 nM, respectively).

Chemical Structure

CAS# unknown

Theoretical Analysis

MedKoo Cat#: 464580
Name: ABA-X-BY630
CAS#: unknown
Chemical Formula: C43H48BF2N9O7S
Exact Mass: 883.3459
Molecular Weight: 883.7798
Elemental Analysis: C, 58.44; H, 5.47; B, 1.22; F, 4.30; N, 14.26; O, 12.67; S, 3.63

Price and Availability

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 @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: ABA-X-BY630; ABA X BY630; ABAXBY630;

IUPAC/Chemical Name: 6-(2-(4-((E)-2-(5,5-difluoro-7-(thiophen-2-yl)-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-3-yl)vinyl)phenoxy)acetamido)-N-(4-((9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)amino)butyl)hexanamide


InChi Code: InChI=1S/C43H48BF2N9O7S/c45-44(46)54-29(13-14-30(54)23-31-15-18-33(55(31)44)35-7-6-22-63-35)12-9-28-10-16-32(17-11-28)61-25-37(58)48-19-3-1-2-8-36(57)47-20-4-5-21-49-41-38-42(51-26-50-41)53(27-52-38)43-40(60)39(59)34(24-56)62-43/h6-7,9-18,22-23,26-27,34,39-40,43,56,59-60H,1-5,8,19-21,24-25H2,(H,47,57)(H,48,58)(H,49,50,51)/b12-9+/t34-,39-,40-,43-/m1/s1

SMILES Code: O=C(CCCCCNC(COC1=CC=C(/C=C/C(C=C2)=[N+]3C2=CC4=CC=C(C5=CC=CS5)N4[B-]3(F)F)C=C1)=O)NCCCCNC6=NC=NC7=C6N=CN7[C@@H]8O[C@H](CO)[C@@H](O)[C@H]8O

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: 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 883.7798 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

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1: May LT, Bridge LJ, Stoddart LA, Briddon SJ, Hill SJ. Allosteric interactions across native adenosine-A3 receptor homodimers: quantification using single-cell ligand-binding kinetics. FASEB J. 2011 Oct;25(10):3465-76. doi: 10.1096/fj.11-186296. Epub 2011 Jun 29. PMID: 21715680; PMCID: PMC3177574.

2: May LT, Self TJ, Briddon SJ, Hill SJ. The effect of allosteric modulators on the kinetics of agonist-G protein-coupled receptor interactions in single living cells. Mol Pharmacol. 2010 Sep;78(3):511-23. doi: 10.1124/mol.110.064493. Epub 2010 Jun 22. PMID: 20571079; PMCID: PMC2939483.