AB-680
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 408060

CAS#: 2105904-82-1

Description: AB-680 is highly potent, reversible and selective CD73 inhibitor. AB680 to be a reversible, slow-onset competitive inhibitor of human CD73 with a Ki of 5 pM. Clinical candidates of this potency are uncommon and deserve special consideration during lead optimization.


Chemical Structure

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AB-680
CAS# 2105904-82-1

Theoretical Analysis

MedKoo Cat#: 408060
Name: AB-680
CAS#: 2105904-82-1
Chemical Formula: C20H24ClFN4O9P2
Exact Mass: 580.0691
Molecular Weight: 580.8269
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
100.0mg USD 1650.0 2 Weeks
200.0mg USD 2950.0 2 Weeks
500.0mg USD 4650.0 2 Weeks
1.0g USD 6850.0 2 Weeks
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Synonym: AB-680; AB 680; AB680; Quemliclustat; Quémliclustat; Quemliclustatum;

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

Preparing Stock Solutions

The following data is based on the product molecular weight 580.8269 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

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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.

AB-680

100.0mg / USD 1650.0