Pargyline - CAS 555-57-7
Catalog: |
BB029086 |
Product Name: |
Pargyline |
CAS: |
555-57-7 |
Synonyms: |
N-benzyl-N-methylprop-2-yn-1-amine |
Application: |
Monoamine oxidase B (MAO-B) inhibitor |
Related CAS: | 306-07-0 (hydrochloride)
|
IUPAC Name: | N-benzyl-N-methylprop-2-yn-1-amine |
Description: | Pargyline is a monoamine oxidase B (MAO-B) inhibitor with antihypertensive properties(IC50=8.2 nM), and has been found to bind with high affinity to the I2 imidazoline receptor. |
Molecular Weight: | 159.23 |
Molecular Formula: | C11H13N |
Canonical SMILES: | CN(CC#C)CC1=CC=CC=C1 |
InChI: | InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3 |
InChI Key: | DPWPWRLQFGFJFI-UHFFFAOYSA-N |
Boiling Point: | 86-88 °C / 4 mmHg (lit.) |
Melting Point: | 15-20 °C |
Purity: | ≥ 95 % |
Density: | 0.94 g/cm3 |
Solubility: | Soluble in DMSO |
Appearance: | Pale yellow oil to low melting solid |
Storage: | Store at -20 °C |
MDL: | MFCD00008576 |
LogP: | 1.75160 |
Quality Standard: | Enterprise Standard |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113307806-A | Beta-carboline selective monoamine oxidase B inhibitor and pharmaceutical application thereof | 20210522 |
CN-112402418-A | Monoamine oxidase B (MAO-B) inhibitor and application thereof | 20201216 |
CN-112552232-A | Pyridone hexa-alkynylamine modified derivative and preparation method and application thereof | 20201216 |
CN-111944034-A | Stable polypeptide inhibitor derived from SNAIL1 based on LSD1 substrate and application thereof | 20200818 |
CN-111944034-B | Stable polypeptide inhibitor derived from SNAIL1 based on LSD1 substrate and application thereof | 20200818 |
PMID | Publication Date | Title | Journal |
33359020 | 20210315 | Effects of novel 17β-hydroxysteroid dehydrogenase type 10 inhibitors on mitochondrial respiration | Toxicology letters |
28608746 | 20180501 | New insights in the metabolism of oxybutynin: evidence of N-oxidation of propargylamine moiety and rearrangement to enaminoketone | Xenobiotica; the fate of foreign compounds in biological systems |
27270453 | 20160725 | Combining in\xa0vitro and in silico approaches to evaluate the multifunctional profile of rosmarinic acid from Blechnum brasiliense on targets related to neurodegeneration | Chemico-biological interactions |
26536532 | 20151201 | Synthesis and biological evaluation of novel 5-(hydroxamic acid)methyl oxazolidinone derivatives | European journal of medicinal chemistry |
25656918 | 20150325 | Evaluation of metabolism dependent inhibition of CYP2B6 mediated bupropion hydroxylation in human liver microsomes by monoamine oxidase inhibitors and prediction of potential as perpetrators of drug interaction | Chemico-biological interactions |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.104799419 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.104799419 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 3.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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