2-(4-Methylpiperazin-1-yl)isonicotinic Acid - CAS 876717-56-5
Catalog: |
BB058962 |
Product Name: |
2-(4-Methylpiperazin-1-yl)isonicotinic Acid |
CAS: |
876717-56-5 |
Synonyms: |
2-(4-Methyl-1-piperazinyl)-4-pyridinecarboxylic Acid; 2-(4-Methyl-piperazin-1-yl)-isonicotinic Acid; 2-(4-Methylpiperazin-1-yl)isonicotinic Acid |
IUPAC Name: | 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid |
Description: | 2-(4-methylpiperazin-1-yl)isonicotinic Acid is a useful intermediate used in the preparation of N-cyanomethyl amide compounds/derivatives as protease inhibitors for the treatment of osteoporosis. |
Molecular Weight: | 221.25 |
Molecular Formula: | C11H15N3O2 |
Canonical SMILES: | CN1CCN(CC1)C2=NC=CC(=C2)C(=O)O |
InChI: | InChI=1S/C11H15N3O2/c1-13-4-6-14(7-5-13)10-8-9(11(15)16)2-3-12-10/h2-3,8H,4-7H2,1H3,(H,15,16) |
InChI Key: | OXVRAMAPGBJUBN-UHFFFAOYSA-N |
References: | Bryant, C. M., et al. From PCT Int. Appl. (2000), WO 2000055126 A2 20000921. |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10703748-B2 | Diazanaphthalen-3-yl carboxamides and preparation and use thereof | 20171031 |
US-2019127370-A1 | Diazanaphthalen-3-yl carboxamides and preparation and use thereof | 20171031 |
WO-2019089835-A1 | Diazanaphthalen-3-yl carboxamides and preparation and use thereof | 20171031 |
RU-2236402-C2 | Derivatives of 3-phenylpyridine and pharmaceutical composition based on thereof | 19990224 |
EP-0513387-A1 | Active oxygen inhibitor | 19901130 |
EP-0934937-A1 | Azole derivatives as superoxide radical inhibitor | 19901130 |
EP-0934937-B1 | Azole derivatives as superoxide radical inhibitor | 19901130 |
EP-1130017-A2 | Azole derivatives and their use as superoxide radical inhibitors | 19901130 |
EP-1130017-B1 | Azole derivatives and their use as superoxide radical inhibitors | 19901130 |
US-5643932-A | Superoxide radical inhibitor | 19901130 |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.11642673 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.11642673 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 56.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.6 |
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