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| CAS No.: | 50847-11-5 |
|---|---|
| Name: | Ibudilast |
| Molecular Structure: | |
|
|
|
| Formula: | C14H18N2O |
| Molecular Weight: | 230.31 |
| Synonyms: | Pyrazolo[1,5-a]pyridine,1-propanone deriv.;1-(2-Isopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one;2-Isopropyl-3-isobutyrylpyrazolo[1,5-a]pyridine;AV 411;KC 404;Ketas;1-Propanone,2-methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]-; |
| EINECS: | 637-150-7 |
| Density: | 1.09 g/cm3 |
| Melting Point: | 53-54 °C |
| Boiling Point: | 175°C/7.5mmHg(lit.) |
| Solubility: | DMSO: 28 mg/mL, soluble |
| Appearance: | white solid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 34.37000 |
| LogP: | 3.29640 |
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Chemistry
IUPAC Name: 2-Methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
Molecular Structure: 
Molecular Formula: C14H18N2O
Molecular Weight: 230.31
CAS NO: 50847-11-5
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 34.37 Å2
Index of Refraction: 1.57
Molar Refractivity: 69.08 cm3
Molar Volume: 210.2 cm3
Surface Tension: 35.9 dyne/cm
Density: 1.09 g/cm3
Melting Point: 53-54°C
Storage temp: 2-8°C
Solubility : DMSO: 28 mg/mL, soluble
Appearance: white solid
Synonyms of Ibudilast (CAS NO.50847-11-5): 3-Isobutyryl-2-isopropylpyrazolo[1,5-a]pyridine ; 2-Methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]-1-propanone ; 2-Isopropyl-3-isobutyrylpyrazolo[1,5-a]pyridine
Product Categories: Intermediates & Fine Chemicals;Pharmaceuticals;Cyclic Nucleotide related
Uses
Ibudilast (CAS NO.50847-11-5) is used as an antiallergic, antiasthmatic, and vasodilator. And Ibudilast is mainly used in the treatment of asthma and stroke. It may also be useful in the treatment of multiple sclerosis.
Production
In the presence of Potassium carbonate and Sodium acetate, 1-Amino-2-methyl-pyridine halide anchor reacts with Isobutyric anhydride to form Ibudilast.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 460mg/kg (460mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 5503, 1985. |
| mouse | LD50 | intravenous | 146mg/kg (146mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 5503, 1985. |
| mouse | LD50 | oral | 1860mg/kg (1860mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 5503, 1985. |
| mouse | LD50 | subcutaneous | 3100mg/kg (3100mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 5503, 1985. |
| rat | LD50 | intraperitoneal | 419mg/kg (419mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE | Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 5503, 1985. |
| rat | LD50 | intravenous | 42500ug/kg (42.5mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE KIDNEY, URETER, AND BLADDER: HEMATURIA | Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 5503, 1985. |
| rat | LD50 | oral | 1340mg/kg (1340mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE | Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 5503, 1985. |
| rat | LD50 | subcutaneous | 1300mg/kg (1300mg/kg) | KIDNEY, URETER, AND BLADDER: HEMATURIA | Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 5503, 1985. |
Safety Profile
Safety Information about Ibudilast (CAS NO.50847-11-5):
Hazard Codes: 
Xn
Risk Statements: 22-36/37/38
R22: Harmful if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: UR0711200