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MedKoo Cat#: 555421 | Name: DU172

Description:

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

DU172 is the tyrosine-targeted covalent adenosine A1 receptor antagonist.

Chemical Structure

DU172
DU172
CAS#321907-03-3

Theoretical Analysis

MedKoo Cat#: 555421

Name: DU172

CAS#: 321907-03-3

Chemical Formula: C24H30FN5O5S

Exact Mass: 519.1952

Molecular Weight: 519.59

Elemental Analysis: C, 55.48; H, 5.82; F, 3.66; N, 13.48; O, 15.40; S, 6.17

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
DU172; DU-172; DU 172; GTPL9530; GTPL-9530; GTPL 9530;
IUPAC/Chemical Name
4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propylcarbamoyl]-benzenesulfonyl fluoride
InChi Key
KAJVJPLKXGLLDA-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28)
SMILES Code
O=S(C1=CC=C(C(NCCCN(C(N2CCC)=O)C3=C(NC(C4CCCCC4)=N3)C2=O)=O)C=C1)(F)=O
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 519.59 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: Glukhova A, Thal DM, Nguyen AT, Vecchio EA, Jörg M, Scammells PJ, May LT, Sexton PM, Christopoulos A. Structure of the Adenosine A(1) Receptor Reveals the Basis for Subtype Selectivity. Cell. 2017 Feb 23;168(5):867-877.e13. doi: 10.1016/j.cell.2017.01.042. PubMed PMID: 28235198.