MRS 2179 - Moligand™, ≥98% , Antagonist of P2Y 1 receptor, CAS No.101204-49-3, Antagonist of P2Y 1 receptor

CAS: 101204-49-3 Cat. No.: M275550 Peso molecular: 425.23（free basis）

GRADE & PURITY Moligand™, ≥98%

Synonyms

[(2R,3S,5R)-5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate | J-000339 | ((2R,3S,5R)-5-(6-(Methylamino)-9H-purin-9-yl)-3-(phosphonooxy)tetrahydrofuran-2-yl)methyl dihydrogen phosphate | BDBM50318029 | DTXSID701016926

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

[(2R, 3S, 5R)-5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate | J-000339 | ((2R, 3S, 5R)-5-(6-(Methylamino)-9H-purin-9-yl)-3-(phosphonooxy)tetrahydrofuran-2-yl)methyl dihydrogen phosphate | BDBM50318029 | DTXSID701016926

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Potent, selective, competitive P2Y 1 antagonist (K i = 100 nM). Inhibits ATP induced glutamate release in vitro and inhibits ADP ability to evoke platelet shape change and aggregation.

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Antagonist of P2Y 1 receptor

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CNC1=C2C(=NC=N1)N(C=N2)C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O
• IUPAC Name: [(2R,3S,5R)-5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
• InChIKey: CCPLITQNIFLYQB-XLPZGREQSA-N
• INCHI: 1S/C11H17N5O9P2/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)/t6-,7+,8+/m0/s1
• Isómeros SMILES: CNC1=C2C(=NC=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O
• Peso molecular: 425.23（free basis）
• Reaxy-Rn: 25113683
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25113683&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Clase Purine nucleotides
      • Subclass Purine deoxyribonucleotides
        • Level5 Purine deoxyribonucleoside bisphosphates
          • Level6 Purine deoxyribonucleoside 3',5'-bisphosphates

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Clase: Purine nucleotides
• Subclass: Purine deoxyribonucleotides
• Intermediate Tree Nodes: Purine deoxyribonucleoside bisphosphates
• Direct Parent: Purine deoxyribonucleoside 3',5'-bisphosphates
• Alternative Parents: Ribonucleoside 3'-phosphates 6-alkylaminopurines Monoalkyl phosphates Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Oxolanes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine deoxyribonucleoside 3',5'-bisphosphate - Ribonucleoside 3'-phosphate - 6-alkylaminopurine - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - Monoalkyl phosphate - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Imidolactam - Heteroaromatic compound - Oxolane - Azole - Imidazole - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as purine deoxyribonucleoside 3',5'-bisphosphates. These are purine ribobucleotides with one phosphate group attached to each of two different hydroxyl groups of the ribose moiety, which lacks a hydroxyl group at position 2.
• 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

Objetivos asociados (humanos)

P2RY1 Tchem P2Y purinoceptor 1 (0 Activities)

Discover Target: P2RY1

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

Propiedades químicas y físicas

• Solubilidad: Soluble in water to 100 mM
• Peso molecular: 425.230 g/mol
• XLogP3: -2.900
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 7
• Exact Mass: 425.05 Da
• Monoisotopic Mass: 425.05 Da
• Topological Polar Surface Area: 198.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 617.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Tianxu Liu, Mengting Zhang, Ismail Muhammad Asif, Yonglin Wu, Bin Li, Ling Wang.  (2023)  The regulatory effects of fucoidan and laminarin on functional dyspepsia mice induced by loperamide.  Food & Function,  14  (14): (6513-6525).  [PMID:37377021] [10.1039/D3FO00936J]

2. Shengting Zhang, Mingrui Li, Dongbo Liu, Kunhao Qin, Yingying Xiang, Xiuling Ji, Congwen Li, Yunlin Wei.  (2019)  Studies on the GFP-tagged receptor or β-arrestin2 in U2OS cells reveal two separate signaling pathways of purinergic P2Y1 receptors.  Analytical Methods,  11  (42): (5398-5404).  [PMID:] [10.1039/C9AY01807G]

3. Mengqiong Wang, Baifei Hu, Jimin Ni, Kun Liu, Shuanggui Tian, Junping Zheng, Songlin Liu, Hongtao Liu.  (2025)  Multi-omics joint analysis: Arctii Fructus extract alleviates functional constipation by modulating microbiota-host co-metabolism and suppressing NLRP3 inflammasome activation.  FOOD RESEARCH INTERNATIONAL,      [PMID:41539750] [10.1016/j.foodres.2025.118085]