2-Methyl-1,2-di-3-pyridyl-1-propanone - CAS 54-36-4
Catalog: |
BB028616 |
Product Name: |
2-Methyl-1,2-di-3-pyridyl-1-propanone |
CAS: |
54-36-4 |
Synonyms: |
2-methyl-1,2-dipyridin-3-ylpropan-1-one |
Application: |
A glucocorticoid synthesis inhibitor |
IUPAC Name: | 2-methyl-1,2-dipyridin-3-ylpropan-1-one |
Description: | Metyrapone acts as a glucocorticoid synthesis inhibitor, blocks cortisol synthesis by inhibiting steroid 11β-hydroxylase in adrenal cortex (IC50 = 7.8 μM). |
Molecular Weight: | 226.27 |
Molecular Formula: | C14H14N2O |
Canonical SMILES: | CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2 |
InChI: | InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3 |
InChI Key: | FJLBFSROUSIWMA-UHFFFAOYSA-N |
Boiling Point: | 384.4 ℃ at 760 mmHg |
Melting Point: | 53-56 ℃ |
Purity: | ≥ 98 % |
Density: | 1.12 g/cm3 |
Solubility: | Soluble in DMSO |
Appearance: | Pale beige to light beige solid |
Storage: | Store at -20 ℃ |
LogP: | 2.63710 |
Quality Standard: | Enterprise Standard |
Stability: | Protect tablets from excessive heat & light to prevent discoloration & degradation |
GHS Hazard Statement: | H302 (100%): 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 |
US-2021322447-A1 | Transdermal micro-dosing delivery of psychedelics derivatives | 20200416 |
WO-2021209815-A1 | Transdermal micro-dosing delivery of psychedelics derivatives | 20200416 |
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CN-113493405-A | Preparation method of 4- (dimethylamino) -3- (pyridine-4-yl) but-3-en-2-one | 20200320 |
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PMID | Publication Date | Title | Journal |
32780722 | 20201102 | Type 2 diabetes risk gene Dusp8 regulates hypothalamic Jnk signaling and insulin sensitivity | The Journal of clinical investigation |
31520820 | 20191101 | Stress hormones as potential mediators of air pollutant effects on the brain: Rapid induction of glucocorticoid-responsive genes | Environmental research |
31474739 | 20190101 | Physiological and drug-induced changes in blood levels of adrenal steroids and their precursors in cynomolgus monkeys: An application of steroid profiling by LC-MS/MS for evaluation of the adrenal toxicity | The Journal of toxicological sciences |
26964495 | 20160805 | The cytochrome P450 inhibitor SKF-525A disrupts autophagy in primary rat hepatocytes | Chemico-biological interactions |
27037194 | 20160701 | Ozone Inhalation Provokes Glucocorticoid-Dependent and -Independent Effects on Inflammatory and Metabolic Pathways | Toxicological sciences : an official journal of the Society of Toxicology |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.110613074 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.110613074 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Pyridines
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