MedKoo Cat#: 535199 | Name: Inupadenant HCl

Description:

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

Inupadenant, also known as EOS-850, is a highly selective small molecule antagonist of the adenosine A2a receptor, in the adenosine triphosphate adenosine pathway, a key driver of immunosuppression in the tumor microenvironment across a broad range of tumors.

Chemical Structure

Inupadenant HCl
Inupadenant HCl
CAS#2411004-22-1 (HCl)

Theoretical Analysis

MedKoo Cat#: 535199

Name: Inupadenant HCl

CAS#: 2411004-22-1 (HCl)

Chemical Formula: C25H27ClF2N8O4S2

Exact Mass: 604.1486

Molecular Weight: 641.11

Elemental Analysis: C, 46.84; H, 4.25; Cl, 5.53; F, 5.93; N, 17.48; O, 9.98; S, 10.00

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 #
Synonym
Inupadenant; EOS 100850; EOS100850; EOS-100850; EOS-850; EOS 850; EOS850; Inupadenant HCl; Inupadenant hydrochloride
IUPAC/Chemical Name
(+)-5-amino-3-{2-[4-(2,4-difluoro-5-{2-[(S)-methanesulfinyl]ethoxy}phenyl)piperazin-1-yl]ethyl}-8-(furan-2-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[1,5-c]pyrimidin-2(3H)-one hydrochloride
InChi Key
DDVRGKDOXQCEQN-YZNDQDBRSA-N
InChi Code
InChI=1S/C25H26F2N8O4S2.ClH/c1-41(37)12-11-39-19-14-17(15(26)13-16(19)27)33-7-4-32(5-8-33)6-9-34-22-20(40-25(34)36)23-29-21(18-3-2-10-38-18)31-35(23)24(28)30-22;/h2-3,10,13-14H,4-9,11-12H2,1H3,(H2,28,30);1H/t41-;/m0./s1
SMILES Code
O=C(N1CCN2CCN(C3=CC(OCC[S@](C)=O)=C(F)C=C3F)CC2)SC4=C1N=C(N)N5C4=NC(C6=CC=CO6)=N5.[H]Cl
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 641.11 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