MedKoo Cat#: 408060 | Name: Quemliclustat
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Description:

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

Quemliclustat, also known as AB-680, is highly potent, reversible and selective CD73 inhibitor. Quemliclustat has been shown to block the production of adenosine. The reduction of adenosine restores immune function. Once the immunosuppressive effects of adenosine are removed, activation of antitumor immune cells may be restored resulting in tumor cell death.

Chemical Structure

Quemliclustat
Quemliclustat
CAS#2105904-82-1

Theoretical Analysis

MedKoo Cat#: 408060

Name: Quemliclustat

CAS#: 2105904-82-1

Chemical Formula: C20H24ClFN4O9P2

Exact Mass: 580.0691

Molecular Weight: 580.83

Elemental Analysis: C, 41.36; H, 4.17; Cl, 6.10; F, 3.27; N, 9.65; O, 24.79; P, 10.67

Price and Availability

Size Price Availability Quantity
5mg USD 550.00 2 Weeks
50mg USD 1,650.00 2 Weeks
100mg USD 2,450.00 2 Weeks
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Related CAS #
No Data
Synonym
AB-680; AB 680; AB680; quemliclustat;
IUPAC/Chemical Name
(((((2R,3S,4R,5R)-5-(6-chloro-4-(((S)-1-(2-fluorophenyl)ethyl)amino)-1H-pyrazolo[3,4-b]pyridin-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)methyl)phosphonic acid
InChi Key
MFYLCAMJNGIULC-KCVUFLITSA-N
InChi Code
InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1
SMILES Code
O=P(CP(O)(O)=O)(O)OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](N2C(N=C(Cl)C=C3N[C@H](C4=CC=CC=C4F)C)=C3C=N2)O1
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
CD73 is the primary enzymatic producer of immunosuppressive adenosine in the tumor microenvironment, and high CD73 expression is associated with significantly poorer prognosis in several tumor types.

Preparing Stock Solutions

The following data is based on the product molecular weight 580.83 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: Bowman CE, da Silva RG, Pham A, Young SW. An Exceptionally Potent Inhibitor of Human CD73. Biochemistry. 2019 Aug 6;58(31):3331-3334. doi: 10.1021/acs.biochem.9b00448. Epub 2019 Jul 23. PubMed PMID: 31334635.