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MedKoo Cat#: 464598 | Name: ABEA-BY630

Description:

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

ABEA-BY630 is a novel fluorescent A3 adenosine receptor (A3‐AR) agonist.

Chemical Structure

ABEA-BY630
ABEA-BY630
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 464598

Name: ABEA-BY630

CAS#: unknown

Chemical Formula: C45H51BF2N10O7S

Exact Mass: 924.3724

Molecular Weight: 924.83

Elemental Analysis: C, 58.44; H, 5.56; B, 1.17; F, 4.11; N, 15.15; O, 12.11; S, 3.47

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
ABEA-BY630; ABEABY630; ABEA BY630; ABEA-X-BY630; ABEA X BY630; ABEAXBY630;
IUPAC/Chemical Name
(2S,3S,4R,5R)-5-(6-((4-(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)hexanamido)butyl)amino)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide
InChi Key
LODSCYWXMGXOOZ-ZQJYZEHFSA-N
InChi Code
InChI=1S/C45H51BF2N10O7S/c1-2-49-44(63)41-39(61)40(62)45(65-41)56-28-55-38-42(53-27-54-43(38)56)52-23-7-6-22-50-36(59)10-4-3-5-21-51-37(60)26-64-33-18-12-29(13-19-33)11-14-30-15-16-31-25-32-17-20-34(35-9-8-24-66-35)58(32)46(47,48)57(30)31/h8-9,11-20,24-25,27-28,39-41,45,61-62H,2-7,10,21-23,26H2,1H3,(H,49,63)(H,50,59)(H,51,60)(H,52,53,54)/b14-11+/t39-,40+,41-,45+/m0/s1
SMILES Code
O=C([C@H]1O[C@@H](N2C=NC3=C(NCCCCNC(CCCCCNC(COC4=CC=C(/C=C/C5=[N+](C(C=C5)=C6)B(F)(F)[N-]7C6=CC=C7C8=CC=CS8)C=C4)=O)=O)N=CN=C23)[C@H](O)[C@@H]1O)NCC
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 924.83 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: Stoddart LA, Kilpatrick LE, Corriden R, Kellam B, Briddon SJ, Hill SJ. Efficient G protein coupling is not required for agonist-mediated internalization and membrane reorganization of the adenosine A3 receptor. FASEB J. 2021 Apr;35(4):e21211. doi: 10.1096/fj.202001729RR. PMID: 33710641. 2: Stoddart LA, Vernall AJ, Briddon SJ, Kellam B, Hill SJ. Direct visualisation of internalization of the adenosine A3 receptor and localization with arrestin3 using a fluorescent agonist. Neuropharmacology. 2015 Nov;98:68-77. doi: 10.1016/j.neuropharm.2015.04.013. Epub 2015 Apr 30. PMID: 25937210. 3: Cordeaux Y, Briddon SJ, Alexander SP, Kellam B, Hill SJ. Agonist-occupied A3 adenosine receptors exist within heterogeneous complexes in membrane microdomains of individual living cells. FASEB J. 2008 Mar;22(3):850-60. doi: 10.1096/fj.07-8180com. Epub 2007 Oct 24. PMID: 17959910.