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AB680 , CAS No.2105904-82-1, Inhibitor of Ecto-5'-Nucleotidase

Item Number
A607317
Grouped product items
SKUSizeAvailabilityPrice Qty
A607317-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$89.90
A607317-5mg
5mg
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Production requires sourcing of materials. We appreciate your patience and understanding.
$1,334.90
A607317-10mg
10mg
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Production requires sourcing of materials. We appreciate your patience and understanding.
$359.90
A607317-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,001.90
A607317-50mg
50mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$899.90
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Ecto-5'-Nucleotidase Inhibitor

Basic Description

SynonymsAB-680 | Quemliclustat | 2105904-82-1 | AB680 | Quemliclustat [USAN] | J6K8WSV73A | UNII-J6K8WSV73A | CHEMBL4471306 | WHO 11621 | [[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]
Specifications & PurityMoligand™, ≥97%
Storage TempStore at -20°C,Argon charged
Shipped InIce chest + Ice pads
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionInhibitor of Ecto-5'-Nucleotidase
Product Description

AB-680 is a highly potent, reversible, and selective inhibitor of CD73 (an ectonucleotidase, Ki: 4.9 pM for hCD73) with anti-tumor activity, displays >10,000-fold selectivity over related ectonucleotidases CD39.

Associated Targets(Human)

NT5E Tchem 5'-nucleotidase (7 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1I2 Tchem Pregnane X receptor (6667 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ENTPD8 Tbio Ectonucleoside triphosphate diphosphohydrolase 8 (96 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ENTPD3 Tchem Ectonucleoside triphosphate diphosphohydrolase 3 (108 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NT5E Tchem 5'-nucleotidase (622 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

ENTPD1 Ectonucleoside triphosphate diphosphohydrolase 1 (16 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Entpd2 Ectonucleoside triphosphate diphosphohydrolase 2 (37 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Names and Identifiers

IUPAC Name [[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
INCHI 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
InChi Key MFYLCAMJNGIULC-KCVUFLITSA-N
Canonical SMILES CC(C1=CC=CC=C1F)NC2=CC(=NC3=C2C=NN3C4C(C(C(O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl
Isomeric SMILES C[C@@H](C1=CC=CC=C1F)NC2=CC(=NC3=C2C=NN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl
Alternate CAS 2105904-82-1
PubChem CID 130205852
MeSH Entry Terms AB680;quemliclustat
Molecular Weight 580.82

Certificates

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Related Documents

 SDS

 Specification Sheet

References

1. Bowman CE, da Silva RG, Pham A, Young SW.  (2019)  An Exceptionally Potent Inhibitor of Human CD73..  Biochemistry,  58  (31): (3331-3334).  [PMID:31334635]

Solution Calculators

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