2,2'-O-Cyclouridine - 10mM in DMSO , CAS No.3736-77-4

CAS: 3736-77-4 Cat. No.: O423682 Molecular Weight: 226.19 Beilstein Registry Number: 27(3/4)8885 EC Number: 223-107-6

GRADE & PURITY 10mM in DMSO

Synonyms

(2R,3R,3aS,9aR)-3-hydroxy-2-(hydroxymethyl)-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one | Anhydrouridine; 2,2'-ANHYDROURIDINE; CYCLOURIDINE | BP-58603 | N9APX1AAR4 | 2, 2'-Anhydrouridine | (2R,3R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hy

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

(2R, 3R, 3aS, 9aR)-3-hydroxy-2-(hydroxymethyl)-2, 3, 3a, 9a-tetrahydro-6H-furo[2', 3':4, 5]oxazolo[3, 2-a]pyrimidin-6-one | Anhydrouridine; 2, 2'-ANHYDROURIDINE; CYCLOURIDINE | BP-58603 | N9APX1AAR4 | 2, 2'-Anhydrouridine | (2R, 3R, 3aS, 9aR)-2, 3, 3a, 9a-Tetrahydro-3-hy

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=O
• IUPAC Name: (2R,4R,5R,6S)-5-hydroxy-4-(hydroxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one
• InChIKey: UUGITDASWNOAGG-CCXZUQQUSA-N
• INCHI: 1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1
• Isomeric SMILES: C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O
• WGK Germany: 3
• Molecular Weight: 226.19
• Beilstein: 27(3/4)8885
• Reaxy-Rn: 251127
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=251127&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: Alkyl aryl ethers Monosaccharides Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl aryl ether - Pyrimidone - Monosaccharide - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Secondary alcohol - Ether - Oxacycle - Azacycle - Alcohol - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Heat Sensitive
• Specific Rotation[α]: -20 ° (C=4, H2O)
• Melt Point(°C): 244°C
• Molecular Weight: 226.190 g/mol
• XLogP3: -2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 226.059 Da
• Monoisotopic Mass: 226.059 Da
• Topological Polar Surface Area: 91.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 393.000
• 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