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| CAS No.: | 106730-54-5 |
|---|---|
| Name: | Olprinone |
| Molecular Structure: | |
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| Formula: | C14H10N4 |
| Molecular Weight: | 250.25 |
| Synonyms: | 1,2-dihydro-5-imidazo(1,2-alpha)pyridin-6-yl-6-methyl-2-oxonicotinonitrile;5-(1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-3-yl)-6-methyl-2-oxo-1h-pyridine-3-carbonitrile;Loprinone;Olprinone;1，2-dihydro-5-imidazo[1，2-α]pyridin-6-yl-6-methyl-2-oxo-3-pyridinecarbonitrile;1,2-dihydro-5-(imidazo[1,2-a]pyridin-6-yl)-6-methyl-2-oxo-3-pyridinecarbonitrile;5-(imidazo[1,2-a]pyridine-6-yl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile; |
| Density: | 1.346 g/cm3 |
| Melting Point: | >300oC |
| Hazard Symbols: |
 T, N, C
|
| Risk Codes: | R25; R34; R51/53; R24/25; R36 |
| PSA: | 73.95000 |
| LogP: | 1.86968 |
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Specification
This chemical is called Olprinone, and it can also be named as Loprinone. With the CAS number of 106730-54-5, its IUPAC name is 5-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile. Usually, its molecular formula is C14H10N4O, and it is white to yellow-white crystalline powder which is odorless and tasteless. In addition, its classification codes are Cardiotonic Agents; Cardiovascular Agents; Enzyme Inhibitors; Phosphodiesterase Inhibitors and Protective Agents, and it's often used on the treatment of acute myocardial.
Physical properties about this chemical are: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.03; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.01; (7)ACD/KOC (pH 5.5): 8.54; (8)ACD/KOC (pH 7.4): 48.71; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 61.4 Å2; (13)Index of Refraction: 1.702; (14)Molar Refractivity: 72.06 cm3; (15)Molar Volume: 185.8 cm3; (16)Polarizability: 28.56×10-24 cm3; (17)Surface Tension: 56.4 dyne/cm; (18)Density: 1.34 g/cm3.
Preparation: The product can be made by the reactants of 4-(dimethylamino)-3-(pyrimidine and [1,2-α] pyridine-6-yl)-3-butene-2-ketone and cyanoacetamide, and the reagent of dimethylformamide. Besides, this reaction should be kept 80~90℃ for 12 hours.
You can still convert the following datas into molecular structure:
(1)SMILES: N#C/C3=C/C(/c1ccc2nccn2c1)=C(\NC3=O)
(2)InChI: InChI=1/C14H10N4O/c1-9-12(6-11(7-15)14(19)17-9)10-2-3-13-16-4-5-18(13)8-10/h2-6,8H,1H3,(H,17,19)
(3)InChIKey: JPAWFIIYTJQOKW-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C14H10N4O/c1-9-12(6-11(7-15)14(19)17-9)10-2-3-13-16-4-5-18(13)8-10/h2-6,8H,1H3,(H,17,19)
(5)Std. InChIKey: JPAWFIIYTJQOKW-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD | oral | > 3gm/kg (3000mg/kg) | United States Patent Document. Vol. #4751227, | |
| rat | LD | oral | > 3gm/kg (3000mg/kg) | United States Patent Document. Vol. #4751227, |