2',3'-O-Isopropylideneuridine - ≥98% , CAS No.362-43-6

CAS: 362-43-6 Cat. No.: A588882 Molecular Weight: 284.27 EC Number: 206-647-7

GRADE & PURITY ≥98%

Synonyms

BP-58683 | EINECS 206-647-7 | MFCD00034509 | 2',3'-Isopropylideneuridine | NSC 520038 | 2',3'-O-Isopropylideneuridine | 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione | GFDUSNQQMOENLR

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Application：

2′,3′-O-Isopropylideneuridine is used in the chemical synthesis of N-benzoylated uridine derivatives and N3-substituted 2′,3′-O-isopropylideneuridines with central nervous system (CNS) depressant activity.

Specifications

Synonyms

BP-58683 | EINECS 206-647-7 | MFCD00034509 | 2', 3'-Isopropylideneuridine | NSC 520038 | 2', 3'-O-Isopropylideneuridine | 1-[(3aR, 4R, 6R, 6aR)-6-(hydroxymethyl)-2, 2-dimethyl-3a, 4, 6, 6a-tetrahydrofuro[3, 4-d][1, 3]dioxol-4-yl]pyrimidine-2, 4-dione | GFDUSNQQMOENLR

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1(OC2C(OC(C2O1)N3C=CC(=O)NC3=O)CO)C
• IUPAC Name: 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
• InChIKey: GFDUSNQQMOENLR-PEBGCTIMSA-N
• INCHI: 1S/C12H16N2O6/c1-12(2)19-8-6(5-15)18-10(9(8)20-12)14-4-3-7(16)13-11(14)17/h3-4,6,8-10,15H,5H2,1-2H3,(H,13,16,17)/t6-,8-,9-,10-/m1/s1
• Isomeric SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=CC(=O)NC3=O)CO)C
• Molecular Weight: 284.27
• Reaxy-Rn: 5757516
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5757516&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Ketals Hydropyrimidines Monosaccharides Vinylogous amides Tetrahydrofurans 1,3-dioxolanes Heteroaromatic compounds Ureas Lactams Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrimidone - Ketal - Hydropyrimidine - Monosaccharide - Meta-dioxolane - Tetrahydrofuran - Vinylogous amide - Heteroaromatic compound - Urea - Lactam - Azacycle - Acetal - Oxacycle - Alcohol - Organopnictogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Melt Point(°C): 164 °C
• Molecular Weight: 284.260 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 284.101 Da
• Monoisotopic Mass: 284.101 Da
• Topological Polar Surface Area: 97.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 477.000
• 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