2,2'-Anhydrouridine - CAS 3736-77-4
Catalog: |
BB023263 |
Product Name: |
2,2'-Anhydrouridine |
CAS: |
3736-77-4 |
Synonyms: |
2,2'-Anhydro-b-D-arabinofuranosyl uracil; O-2,2'-Cyclouridine; 2,2'-Anhydro-D-uridine |
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 |
Description: | 2,2'-Anhydrouridine (CAS# 3736-77-4) is a research tool for anticancer and antiviral studies. |
Molecular Weight: | 226.19 |
Molecular Formula: | C9H10N2O5 |
Canonical SMILES: | C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=O |
InChI: | 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 |
InChI Key: | UUGITDASWNOAGG-CCXZUQQUSA-N |
Boiling Point: | 456.3 ℃ at 760 mmHg |
Melting Point: | 239-240 ℃ |
Flash Point: | 229.8±31.5 °C |
Purity: | 98 % |
Density: | 2.0±0.1 g/cm3 |
Solubility: | In Vitro: DMSO: 25 mg/mL(110.53 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one: 10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline Solubility: ≥ 2.5 mg/mL (11.05 mM); Clear solution 2.Add each solvent one by one: 10% DMSO >> 90% (20% SBE-β-CD in saline) Solubility: 2.5 mg/mL (11.05 mM); Suspended solution; Need ultrasonic 3.Add each solvent one by one: 10% DMSO >> 90% corn oil Solubility: ≥ 2.5 mg/mL (11.05 mM); Clear solution |
Appearance: | White to off-white (Solid) |
Storage: | Store at RT |
LogP: | -1.74510 |
Vapor Pressure: | 0.0±2.5 mmHg at 25°C |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021207085-A1 | Synthetic elaboration of native dna by rass (sendr) | 20200406 |
WO-2021146391-A1 | Reagents and their use for modular enantiodivergent synthesis of câ€"p bonds | 20200116 |
WO-2021085509-A1 | Nucleoside derivative and use thereof | 20191028 |
CN-110407900-A | A kind of preparation method for the uridine that 2 '-O- replace | 20190821 |
WO-2021030763-A1 | Modified oligomeric compounds and uses thereof | 20190815 |
PMID | Publication Date | Title | Journal |
22531603 | 20120607 | An efficient synthetic approach to 6,5'-(S)- and 6,5'-(R)-cyclouridine | Chemical communications (Cambridge, England) |
22429508 | 20120415 | Influence of conformationally restricted pyrimidines on the activity of 10-23 DNAzymes | Bioorganic & medicinal chemistry |
21031200 | 20110107 | Synthesis and hybridization properties of 2'-O-methylated oligoribonucleotides incorporating 2'-O-naphthyluridines | Organic & biomolecular chemistry |
20057049 | 20100101 | The X-ray structure of Salmonella typhimurium uridine nucleoside phosphorylase complexed with 2,2'-anhydrouridine, phosphate and potassium ions at 1.86 A resolution | Acta crystallographica. Section D, Biological crystallography |
19911783 | 20091217 | Microwave-assisted synthesis of 2'-O-aryluridine derivatives | Organic letters |
Complexity: | 393 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 4 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.05897142 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.05897142 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 91.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2.5 |
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