6-Chloro-9-(2-tetrahydropyranyl)purine - CAS 7306-68-5
Catalog: |
BB034752 |
Product Name: |
6-Chloro-9-(2-tetrahydropyranyl)purine |
CAS: |
7306-68-5 |
Synonyms: |
6-chloro-9-(2-oxanyl)purine; 6-chloro-9-(oxan-2-yl)purine |
IUPAC Name: | 6-chloro-9-(oxan-2-yl)purine |
Description: | 6-Chloro-9-(2-tetrahydropyranyl)purine (CAS# 7306-68-5) is a useful research chemical. |
Molecular Weight: | 238.67 |
Molecular Formula: | C10H11ClN4O |
Canonical SMILES: | C1CCOC(C1)N2C=NC3=C2N=CN=C3Cl |
InChI: | InChI=1S/C10H11ClN4O/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-16-7/h5-7H,1-4H2 |
InChI Key: | QSTASPNCKDPSAH-UHFFFAOYSA-N |
Boiling Point: | 428.3 °C at 760 mmHg |
Density: | 1.6 g/cm3 |
Appearance: | White solid |
MDL: | MFCD00022821 |
LogP: | 2.17880 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-102308854-B1 | The pharmaceutical composition for prevention and treatment of coronavirus disease-19 containing carbocyclic nucleosides derivatives | 20210226 |
WO-2020033784-A1 | Transglutaminase 2 (tg2) inhibitors | 20180810 |
AU-2019318543-A1 | Transglutaminase 2 (TG2) inhibitors | 20180810 |
CN-112789040-A | Transglutaminase 2(TG2) inhibitors | 20180810 |
EP-3833348-A1 | Transglutaminase 2 (tg2) inhibitors | 20180810 |
PMID | Publication Date | Title | Journal |
14985806 | 20040307 | Synthesis and full characterisation of 6-chloro-2-iodopurine, a template for the functionalisation of purines | Organic & biomolecular chemistry |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.0621387 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.0621387 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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