6-Chloropurine - CAS 87-42-3
Catalog: |
BB038437 |
Product Name: |
6-Chloropurine |
CAS: |
87-42-3 |
Synonyms: |
6-Chloro-9H-purine; NSC 744; 6-Chloro-1H-purine |
Application: |
Antiviral Agents |
IUPAC Name: | 6-chloro-7H-purine |
Description: | Astragaloside III has cardioprotective effects as well as causing improvement in cognitive function. Used in the prevention of cardio-cerebral vascular diseases. Antioxidant. |
Molecular Weight: | 154.56 |
Molecular Formula: | C5H3ClN4 |
Canonical SMILES: | C1=NC2=C(N1)C(=NC=N2)Cl |
InChI: | InChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10) |
InChI Key: | ZKBQDFAWXLTYKS-UHFFFAOYSA-N |
Boiling Point: | 449.6±25.0°C at 760 mmHg |
Melting Point: | >170°C (dec.) |
Purity: | 95 % |
Density: | 1.7±0.1 g/cm3 |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
Appearance: | Yellow Solid |
Storage: | Store at -20°C |
MDL: | MFCD00075825 |
LogP: | 1.00630 |
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 |
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PMID | Publication Date | Title | Journal |
23085031 | 20121201 | Synthesis, evaluation of anti-HIV-1 and anti-HCV activity of novel 2',3'-dideoxy-2',2'-difluoro-4'-azanucleosides | Bioorganic & medicinal chemistry |
22554094 | 20120613 | Gas-phase studies of purine 3-methyladenine DNA glycosylase II (AlkA) substrates | Journal of the American Chemical Society |
22310228 | 20120301 | Novel substituted 9-norbornylpurines and their activities against RNA viruses | Bioorganic & medicinal chemistry letters |
22248345 | 20120223 | Contribution of phosphates and adenine to the potency of adenophostins at the IP₃ receptor: synthesis of all possible bisphosphates of adenophostin A | Journal of medicinal chemistry |
22248391 | 20120223 | Aberrant cyclization affords a C-6 modified cyclic adenosine 5'-diphosphoribose analogue with biological activity in Jurkat T cells | Journal of medicinal chemistry |
Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.0046238 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.0046238 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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