2-Aminoadenosine - CAS 2096-10-8
Catalog: |
BB016459 |
Product Name: |
2-Aminoadenosine |
CAS: |
2096-10-8 |
Synonyms: |
2,6-Diamino-9-β-D-ribofuranosyl-9H-purine; 2,6-Diaminonebularine; 9-β-Ribosyl-2,6-diaminopurine; 2,6-Diaminopurine Riboside; 2,6-Diaminopurinosine; NSC 7363; 9-β-D-Ribofuranosyl-9H-purine-2,6-diamine; 2,6-Diaminopurine Ribonucleoside; 2,6-Diamino-9-β-D-ribofuranosylpurine |
IUPAC Name: | (2R,3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
Description: | It is a nucleoside analogue as an inhibitor or substrate of adenosine kinase from M. tuberculosis. |
Molecular Weight: | 282.26 |
Molecular Formula: | C10H14N6O4 |
Canonical SMILES: | C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)N |
InChI: | InChI=1S/C10H14N6O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H4,11,12,14,15)/t3-,5-,6-,9-/m1/s1 |
InChI Key: | ZDTFMPXQUSBYRL-UUOKFMHZSA-N |
Boiling Point: | 798.5±70.0 °C at 760 mmHg |
Melting Point: | 241-243 °C (dec.) |
Purity: | ≥95% |
Density: | 2.25±0.1 g/cm3 (Predicted) |
Solubility: | Soluble in Aqueous Acid (Slightly, Heated, Sonicated), DMSO (Slightly, Sonicated), Ethanol |
Appearance: | White to off-white solid |
Storage: | Store at 2-8 °C |
MDL: | MFCD00053556 |
LogP: | -1.23540 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112661802-A | Synthetic method of 3' -methoxyguanosine | 20210125 |
WO-2021209161-A1 | Detection of advanced adenoma and/or early stage colorectal cancer | 20200417 |
WO-2021211734-A1 | Compositions and methods for treatment | 20200415 |
WO-2021211467-A1 | Modified mini-nucleosome core proteins and use in nucleic acid delivery | 20200413 |
WO-2021202694-A1 | Phenolic acid lipid based cationic lipids | 20200401 |
PMID | Publication Date | Title | Journal |
22837142 | 20120901 | Biotransformation of 2,6-diaminopurine nucleosides by immobilized Geobacillus stearothermophilus | Biotechnology progress |
22579483 | 20120615 | S-Adenosylhomocysteine hydrolase of the protozoan parasite Trichomonas vaginalis: potent inhibitory activity of 9-(2-deoxy-2-fluoro-β,D-arabinofuranosyl)adenine | Bioorganic & medicinal chemistry letters |
21755941 | 20110825 | Adenosine deaminase-like protein 1 (ADAL1): characterization and substrate specificity in the hydrolysis of N(6)- or O(6)-substituted purine or 2-aminopurine nucleoside monophosphates | Journal of medicinal chemistry |
19099210 | 20091001 | Co-expression of recombinant nucleoside phosphorylase from Escherichia coli and its application | Applied biochemistry and biotechnology |
19046073 | 20081223 | Use of base-modified duplex-stabilizing deoxynucleoside 5'-triphosphates to enhance the hybridization properties of primers and probes in detection polymerase chain reaction | Biochemistry |
Complexity: | 363 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 4 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.10765295 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 5 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.10765295 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 166 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.4 |
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