UK 432097 | CAS#380221-63-6 | Adenosine A2A Agonist

MedKoo Cat#: 529119 | Name: UK 432097

Description:

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

UK 432097 is an adenosine A2A agonist potentially for the treatment of chronic obstructive pulmonary disease.

Chemical Structure

UK 432097

CAS#380221-63-6

Theoretical Analysis

MedKoo Cat#: 529119

Name: UK 432097

CAS#: 380221-63-6

Chemical Formula: C40H47N11O6

Exact Mass: 777.3711

Molecular Weight: 777.88

Elemental Analysis: C, 61.76; H, 6.09; N, 19.81; O, 12.34

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

UK-432097, UK432097, UK 432097

IUPAC/Chemical Name

6-((2,2-diphenylethyl)amino)-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-N-(2-(3-(1-(pyridin-2-yl)piperidin-4-yl)ureido)ethyl)-9H-purine-2-carboxamide

InChi Key

ZOTHAEBAWXWVID-HXEFRTELSA-N

InChi Code

InChI=1S/C40H47N11O6/c1-2-41-37(54)33-31(52)32(53)39(57-33)51-24-46-30-34(45-23-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26)48-35(49-36(30)51)38(55)43-19-20-44-40(56)47-27-16-21-50(22-17-27)29-15-9-10-18-42-29/h3-15,18,24,27-28,31-33,39,52-53H,2,16-17,19-23H2,1H3,(H,41,54)(H,43,55)(H2,44,47,56)(H,45,48,49)/t31-,32+,33-,39+/m0/s1

SMILES Code

O[C@H]1[C@H](N2C=NC3=C(NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=C(C(NCCNC(NC6CCN(C7=NC=CC=C7)CC6)=O)=O)N=C23)O[C@H](C(NCC)=O)[C@H]1O

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

>2 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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 777.88 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

1: Xu F, Wu H, Katritch V, Han GW, Jacobson KA, Gao ZG, Cherezov V, Stevens RC. Structure of an agonist-bound human A2A adenosine receptor. Science. 2011 Apr 15;332(6027):322-7. doi: 10.1126/science.1202793. PubMed PMID: 21393508; PubMed Central PMCID: PMC3086811. 2: Jones RM, Harrison A. A new methodology for predicting human pharmacokinetics for inhaled drugs from oratracheal pharmacokinetic data in rats. Xenobiotica. 2012 Jan;42(1):75-85. doi: 10.3109/00498254.2011.626465. PubMed PMID: 22077102. 3: Mantell S, Jones R, Trevethick M. Design and application of locally delivered agonists of the adenosine A(2A) receptor. Expert Rev Clin Pharmacol. 2010 Jan;3(1):55-72. doi: 10.1586/ecp.09.57. PubMed PMID: 22111533.