[1,6]Naphthyridine - CAS 253-72-5
Catalog: |
BB018886 |
Product Name: |
[1,6]Naphthyridine |
CAS: |
253-72-5 |
Synonyms: |
1,6-naphthyridine |
IUPAC Name: | 1,6-naphthyridine |
Description: | [1,6]Naphthyridine (CAS# 253-72-5 ) is a useful research chemical. |
Molecular Weight: | 130.15 |
Molecular Formula: | C8H6N2 |
Canonical SMILES: | C1=CC2=C(C=CN=C2)N=C1 |
InChI: | InChI=1S/C8H6N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-6H |
InChI Key: | VSOSXKMEQPYESP-UHFFFAOYSA-N |
Boiling Point: | 267.3 °C at 760 mmHg |
Melting Point: | 231-233 °C |
Purity: | 98 % |
Density: | 1.183 g/cm3 |
MDL: | MFCD00059750 |
LogP: | 1.62980 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021126995-A1 | Methods and compositions for treating cancer | 20191220 |
WO-2021127265-A1 | Compounds and probes for imaging huntingtin protein | 20191218 |
WO-2021122745-A1 | 4-[[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)amino]methyl]piperidin-3-ol compounds and their therapeutic use | 20191216 |
US-2021188827-A1 | Atm kinase inhibitors and compositions and methods of use thereof | 20191204 |
WO-2021113506-A1 | Atm kinase inhibitors and compositions and methods of use thereof | 20191204 |
PMID | Publication Date | Title | Journal |
27326329 | 20160609 | 2,8-Disubstituted-1,6-Naphthyridines and 4,6-Disubstituted-Isoquinolines with Potent, Selective Affinity for CDK8/19 | ACS medicinal chemistry letters |
22900966 | 20121022 | Exploring the role of water molecules for docking and receptor guided 3D-QSAR analysis of naphthyridine derivatives as spleen tyrosine kinase (Syk) inhibitors | Journal of chemical information and modeling |
22472093 | 20120420 | Suberitine A-D, four new cytotoxic dimeric aaptamine alkaloids from the marine sponge Aaptos suberitoides | Organic letters |
22321214 | 20120301 | Discovery of 4-hydroxy-1,6-naphthyridine-3-carbonitrile derivatives as novel PDE10A inhibitors | Bioorganic & medicinal chemistry letters |
22356552 | 20120301 | Evaluation of WO2011134971, chiral 1,6-napthyridine Syk kinase inhibitors | Expert opinion on therapeutic patents |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.053098200 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.053098200 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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