2-Chloroadenine - CAS 1839-18-5
Catalog: |
BB014109 |
Product Name: |
2-Chloroadenine |
CAS: |
1839-18-5 |
Synonyms: |
6-Amino-2-chloropurine; 2-Chloro-9H-purin-6-amine; NSC 7362; 2-Chloro-6-aminopurine; 2-chloropurine-6-ylamine; 2-Chloro-9H-purin-6-ylamine; Cladribine impurity C |
IUPAC Name: | 2-chloro-7H-purin-6-amine |
Description: | 2-Chloroadenine (CAS# 1839-18-5) is a compound useful in organic synthesis. |
Molecular Weight: | 169.57 |
Molecular Formula: | C5H4ClN5 |
Canonical SMILES: | C1=NC2=C(N1)C(=NC(=N2)Cl)N |
InChI: | InChI=1S/C5H4ClN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11) |
InChI Key: | HBJGQJWNMZDFKL-UHFFFAOYSA-N |
Boiling Point: | 485.5±27.0°C at 760 mmHg |
Melting Point: | >300 °C (dec.) |
Purity: | > 95 % |
Density: | 1.8±0.1 g/cm3 |
Solubility: | Soluble in Aqueous Base (Slightly), DMSO (Very Slightly, Heated, Sonicated) |
Appearance: | Pale yellow solid |
Storage: | Store at -20°C |
MDL: | MFCD00037925 |
LogP: | 1.16970 |
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 |
CN-113292620-A | Improved process for preparing clofarabine intermediate 3 ', 5' -di-O-benzoyl-2-chloroadenosine | 20210524 |
CN-112266386-A | 2-chloroadenine derivative, preparation method and application | 20201020 |
CN-112159447-A | Intermediate for synthesizing 2-chloroadenosine, synthesis process thereof and synthesis process of 2-chloroadenosine | 20201010 |
CN-111606891-A | (1,1, 1-trichloro-2) carbamate derivative and preparation method and application thereof | 20200415 |
WO-2021202977-A1 | Pyrrolopyrimidine amines as complement inhibitors | 20200403 |
PMID | Publication Date | Title | Journal |
19896926 | 20100401 | Correlation of the time course of development and decay of tolerance to morphine with alterations in sodium pump protein isoform abundance | Biochemical pharmacology |
18669260 | 20080301 | [Synthesis of 2-chloro-2'-deoxyadenosine by microbiological transglycosylation using a recombinant Escherichia coli strain] | Prikladnaia biokhimiia i mikrobiologiia |
18054463 | 20080101 | Rofecoxib, a selective cyclooxygenase-2 (COX-2) inhibitor increases pentylenetetrazol seizure threshold in mice: possible involvement of adenosinergic mechanism | Epilepsy research |
18404447 | 20070901 | New 2,6,9-trisubstituted adenines as adenosine receptor antagonists: a preliminary SAR profile | Purinergic signalling |
15757511 | 20050309 | Application of population pharmacokinetics to cladribine | BMC pharmacology |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.0155228 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.0155228 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 80.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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