AZD5904 - Moligand™, ≥98% , Inhibitor of myeloperoxidase, CAS No.618913-30-7, Inhibitor of myeloperoxidase

CAS: 618913-30-7 Cat. No.: A607876 Molecular Weight: 252.29 EC Number: 642-433-3 PubChem CID: 10264211
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6H-purin-6-one | AZD 5904 [WHO-DD] | 3-[[(2~{R})-oxolan-2-yl]methyl]-2-sulfanylidene-9~{H}-purin-6-one | 62A9CG81VN | Q27074766 | MS-23562 | 1,2,3,9-Tetrahydro-3-(((2R)-tetrahydro-2-fu
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
A607876-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$59.90
25mg
A607876-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$269.90
100mg
A607876-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$749.90
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Why this grade

Moligand™, ≥98% Moligand™ 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.

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Quality documents

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

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Literature proof

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

Overview

AZD5904 is a potent and irreversible inhibitor of human Myeloperoxidase (MPO, IC50: 140 nM) which has similar potency in mouse and rat.

Specifications

Synonyms
2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1, 2, 3, 7-tetrahydro-6H-purin-6-one | AZD 5904 [WHO-DD] | 3-[[(2~{R})-oxolan-2-yl]methyl]-2-sulfanylidene-9~{H}-purin-6-one | 62A9CG81VN | Q27074766 | MS-23562 | 1, 2, 3, 9-Tetrahydro-3-(((2R)-tetrahydro-2-fu
Specifications & Purity
Moligand™, ≥98%
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.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of myeloperoxidase
Purity
≥98%
Names and Identifiers
Canonical SmilesC1CC(OC1)CN2C3=C(C(=O)NC2=S)NC=N3
IUPAC Name3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-7H-purin-6-one
InChIKeyRSPDBEVKURKEII-ZCFIWIBFSA-N
INCHI1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17)/t6-/m1/s1
Isomeric SMILES C1C[C@@H](OC1)CN2C3=C(C(=O)NC2=S)NC=N3
Alternate CAS 618913-30-7
PubChem CID 10264211
Molecular Weight 252.29

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ 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
SuperclassOrganoheterocyclic compounds
ClassImidazopyrimidines
SubclassPurines and purine derivatives
Intermediate Tree Nodes Not available
Direct ParentThioxanthines
Alternative Parents 6-oxopurines  2-Thiopyrimidines  Pyrimidones  Pyrimidinethiones  Vinylogous amides  Heteroaromatic compounds  Imidazoles  Oxolanes  Lactams  Thioureas  Azacyclic compounds  Oxacyclic compounds  Dialkyl ethers  Hydrocarbon derivatives  Organic oxides  Organonitrogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Thioxanthine - 6-oxopurine - Purinone - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Pyrimidine - Azole - Imidazole - Oxolane - Heteroaromatic compound - Vinylogous amide - Lactam - Thiourea - Oxacycle - Ether - Dialkyl ether - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as thioxanthines. These are organic polycyclic compounds containing a thioxanthine moiety, which is an aromatic bicyclic structure derived from xanthine by replacing a carbonyl group with a thiocarbonyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
MPO Tchem Myeloperoxidase (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TPO Tclin Thyroid peroxidase (64 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MPO Tchem Myeloperoxidase (1002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
rep Replicase polyprotein 1ab (378 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: 2 mg/mL, clear
Molecular Weight252.300 g/mol
XLogP30.500
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass252.068 Da
Monoisotopic Mass252.068 Da
Topological Polar Surface Area102.000 Ų
Heavy Atom Count17
Formal Charge0
Complexity351.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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