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

CAS: 2216764-29-1 Cat. No.: C647604 Formula: C16H23ClN5O7P Molecular Weight: 463.81 PubChem CID: 135348940
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
Germany (EU)
USA*
Price
Qty
5mg
C647604-5mg
Made to order · 8–12 wks
€694.97
10mg
C647604-10mg
Made to order · 8–12 wks
€1,180.91
25mg
C647604-25mg
Made to order · 8–12 wks
€2,343.68
50mg
C647604-50mg
Made to order · 8–12 wks
€3,818.83
100mg
C647604-100mg
Made to order · 8–12 wks
€5,901.41
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

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

Specifications

Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
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.
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Purity
≥99%
Names and Identifiers
Canonical Smiles
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
Isomeric 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
Molecular Weight
463.81

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

<<<<<<< HEAD Download SDS → ======= Download SDS → >>>>>>> release248-p3

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassNucleosides, nucleotides, and analogues
ClassPyrazolo[3,4-d]pyrimidine glycosides
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPyrazolo[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 FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
NT5E Tchem 5'-nucleotidase (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADORA2A Tclin Adenosine A2a receptor (16305 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
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
Mechanisms of Action
Certificates (CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 125 mg/mL (269.51 mM; Need ultrasonic)
Solution Calculators
Reviews

Customer Reviews

Frequently Asked 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.

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