CD73-IN-4 - ≥99% , CAS No.2216764-29-1

CAS: 2216764-29-1 Cat. No.: C647604 Formule: C₁₆H₂₃ClN₅O₇P Poids moléculaire: 463.81 PubChem CID: 135348940

QUALITÉ & PURETÉ ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

CD73-IN-4 is a potent and selective methylenephosphonic acid CD73 inhibitor, with an IC 50 of 2.6 nM for human CD73 . CD73-IN-4 is potential for the research of cancer immunology

In Vitro

CD73-IN-4 (compound 4a) exhibits excellent potency against soluble hCD73 (IC 50 = 0.86 nM) and soluble mouse CD73 (mCD73; IC 50 = 3.0 nM), CHO cells overexpressing hCD73 (IC 50 = 2.6 nM) or mCD73 (IC 50 = 13 nM), and the human ovary cancer cell line SKOV-3 (IC 50 = 0.55 nM). It exhibits excellent selectivity (IC 50 > 10 000 nM) against CD39, A2aR, and NTPDase2, 3, and 8. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:CD73

Spécifications

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

CD73-IN-4 is a potent and selective methylenephosphonic acid CD73 inhibitor, with an IC 50 of 2.6 nM for human CD73 . CD73-IN-4 is potential for the research of cancer immunology.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥99%

Noms et identifiants

Sourires canoniques

C1CCC(C1)NC2=C3C=NN(C3=NC(=N2)Cl)C4C(C(C(O4)COCP(=O)(O)O)O)O

IUPAC Name

[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid

InChIKey

IVHVIBKVJIZKOC-RTWAVKEYSA-N

INCHI

1S/C16H23ClN5O7P/c17-16-20-13(19-8-3-1-2-4-8)9-5-18-22(14(9)21-16)15-12(24)11(23)10(29-15)6-28-7-30(25,26)27/h5,8,10-12,15,23-24H,1-4,6-7H2,(H,19,20,21)(H2,25,26,27)/t10-,11-,12-,15-/m1/s1

Isomères SMILES

C1CCC(C1)NC2=C3C=NN(C3=NC(=N2)Cl)[C@H]4[C@@H]([C@@H]([C@H](O4)COCP(=O)(O)O)O)O

PubChem CID

135348940

Poids moléculaire

463.81

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Classe Pyrazolo[3,4-d]pyrimidine glycosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: Pyrazolo[3,4-d]pyrimidine glycosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolo[3,4-d]pyrimidine glycosides
• Alternative Parents: Glycosylamines Pentoses Pyrazolo[3,4-d]pyrimidines Secondary alkylarylamines Aminopyrimidines and derivatives 2-halopyrimidines Imidolactams Aryl chlorides Tetrahydrofurans Pyrazoles Organic phosphonic acids Heteroaromatic compounds Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organophosphorus compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolo[3,4-d]pyrimidine glycoside - N-glycosyl compound - Glycosyl compound - Pentose monosaccharide - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - 2-halopyrimidine - Secondary aliphatic/aromatic amine - Halopyrimidine - Aminopyrimidine - Imidolactam - Pyrimidine - Monosaccharide - Aryl halide - Aryl chloride - Heteroaromatic compound - Tetrahydrofuran - Pyrazole - Organophosphonic acid derivative - Organophosphonic acid - Azole - Secondary alcohol - 1,2-diol - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazolo[3,4-d]pyrimidine glycosides. These are nucleosides or derivatives thereof that consist of a pyazolo[3,2-d]pyrimidine ring system that is N-glycosidically linked to a ribose or deoxyribose. They bear the sugar moiety on the pyrimidine part of the molecule.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (humaines)

NT5E Tchem 5'-nucleotidase (4 Activities)

Discover Target: NT5E

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

Discover Target: ADORA2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ENTPD8 Tbio Ectonucleoside triphosphate diphosphohydrolase 8 (96 Activities)

Discover Target: ENTPD8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ENTPD3 Tchem Ectonucleoside triphosphate diphosphohydrolase 3 (108 Activities)

Discover Target: ENTPD3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

ENTPD1 Ectonucleoside triphosphate diphosphohydrolase 1 (16 Activities)

Discover Target: ENTPD1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Entpd2 Ectonucleoside triphosphate diphosphohydrolase 2 (37 Activities)

Discover Target: Entpd2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 125 mg/mL (269.51 mM; Need ultrasonic)

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2216764-29-1, the molecular formula is C16H23ClN5O7P, and the molecular weight is 463.81 g/mol. InChIKey IVHVIBKVJIZKOC-RTWAVKEYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.