formycin B - Moligand™, ≥98% , CAS No.13877-76-4

CAS: 13877-76-4 Cat. No.: F610379 Formule: C₁₀H₁₂N₄O₅ Poids moléculaire: 268.23

GRADE & PURITY Moligand™, ≥98%

Synonyms

Laurusin | NSC-106486 | Ohyamycin | NSC 106486 | NSC106486

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

Laurusin | NSC-106486 | Ohyamycin | NSC 106486 | NSC106486

Spécifications et pureté

Moligand™, ≥98%

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.

Grade

Moligand™

Pureté

≥98%

Noms et identifiants

Sourires canoniques

OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)c1n[nH]c2c1[nH]cnc2=O

IUPAC Name

3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-7-one

InChIKey

MTCJZZBQNCXKAP-KSYZLYKTSA-N

INCHI

1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1

Isomères SMILES

C1=NC2=C(NN=C2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

Poids moléculaire

268.23

Reaxy-Rn

1224222

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1224222&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 C-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: C-glycosyl compounds
• Alternative Parents: Pentoses Pyrazolopyrimidines Pyrimidones Tetrahydrofurans Heteroaromatic compounds Pyrazoles Secondary alcohols Lactams Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: C-glycosyl compound - Pentose monosaccharide - Pyrazolopyrimidine - Pyrimidone - Monosaccharide - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Tetrahydrofuran - Lactam - Secondary alcohol - Azacycle - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Primary alcohol - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Alcohol - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.
• External Descriptors: formycin

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)

HepG2 (196354 Activities)

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Cibles associées (non humaines)

Trypanosoma brucei brucei (13300 Activities)

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Leishmania donovani (89745 Activities)

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Trypanosoma cruzi (99888 Activities)

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Influenza A virus (11224 Activities)

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MDCK (10148 Activities)

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NIH3T3 (5395 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 268.230 g/mol
• XLogP3: -2.500
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 268.081 Da
• Monoisotopic Mass: 268.081 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 405.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

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 13877-76-4, the molecular formula is C10H12N4O5, and the molecular weight is 268.23 g/mol. InChIKey MTCJZZBQNCXKAP-KSYZLYKTSA-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.