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

CAS: 13877-76-4 Cat. No.: F610379 Molecular Weight: 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

Synonyms

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

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™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1=NC2=C(NN=C2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
• Molecular Weight: 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
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 C-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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

Associated Targets(Human)

HepG2 (196354 Activities)

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Associated Targets(non-human)

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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Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 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