Ibudilast

HCID 3671CAS 50847-11-5
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Grundinformationen

Standard-SMILES
CC(C)C(=O)c1c(C(C)C)nn2ccccc12
InChIKey
ZJVFLBOZORBYFE-UHFFFAOYSA-N
Summenformel
C14H18N2O
Durchschnittliche Molmasse
230,31 g/mol
Monoisotopische Masse
230,1419132

Überblick

Ibudilast is a pyrazolopyridine.

Namen und Bezeichner

Bevorzugter Name
Ibudilast
IUPAC
2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
Englischer Name
Ibudilast
Summenformel
C14H18N2O
Molmasse
230.31

Namen und Synonyme

ibudilast50847-11-5KetasIbudilastumKC-404MN-166AV-4112-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one3-Isobutyryl-2-isopropylpyrazolo[1,5-a]pyridineDTXSID7049007AV4113-Isobutyryl-2-isopropylpyrazolo(1,5-a)pyridine
Weitere Namen anzeigen
CS-351PinatosEyevinalbudilastlbudilast
AV 411M0TTH61XC51-(2-Isopropylpyrazolo(1,5-a)pyridin-3-yl)-2-methyl-1-propanoneDTXCID20289332-methyl-1-(2-propan-2-ylpyrazolo(1,5-a)pyridin-3-yl)propan-1-oneMN166RefChem:789642R03DC04

Datenbank-Bezeichner

CAS
50847-11-5
PubChem CID
3671
DTXSID
DTXSID7049007
ChEMBL
CHEMBL19449
ChEBI
CHEBI:31684
UNII
M0TTH61XC5
EC Number
637-150-7
Nikkaji
J22.219D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3
Polarare Oberfläche (TPSA)
34,4 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
17

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15
Solubility1.79e-01 g/L
Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt
53 · 53-54°C
Siedepunkt
175 °C/7.5mmHg · 175°C/7.5mmHg(lit.)
Dichte
1.09 · 1.09
Brechungsindex
1.55 · 1.5500 (estimate)
storage temp.
2 · Sealed in dry,2-8°C
Löslichkeit
28 mg/mL, · DMSO: 28 mg/mL, soluble

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Toxikologische Informationen

Drug Induced Liver Injury · 4 Einträge

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

Ibudilast

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

Sicherheitsdaten

wgk
3
hs_code
2933.99.8290
RTECS-Nr.
UR0711200
risk_code
22-36/37/38
Toxizität
LD50 i.v. in mice: 260 mg/kg (Irikura, 1973)
hazard_code
Xn

Chemie und Industrie

Pharmakologische Informationen

ATC Code · 2 Einträge

R - Respiratory system

QR - Respiratory system

Mechanism of ActionIbudilast has mechanisms that include anti-inflammatory effects, such as phosphodiesterase inhibition, and neuroprotective effects, such as inhibition of [nitric oxide] synthesis and reduction in reactive oxygen species.
Biological Half-Life19 hours
MeSH Pharmacological Classification · 4 Einträge

Agents that cause an increase in the expansion of a bronchus or bronchial tubes.

Compounds which inhibit or antagonize the biosynthesis or actions of phosphodiesterases.

Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.

Drugs used to cause dilation of the blood vessels.

Cellular LocationsCytoplasm
Anwendungen · 2 Einträge

BeschreibungIbudilast is a leukomene antagonist and phosphodiesterase inhibitor useful in the treatment of bronchial asthma. It antagonizes leukotriene D4-induced contractions of guinea pig ileum and tracheal muscles in virro, and inhibits eosinophil accumulation in vivo.

VerwendenInhibitors of phosphodiesterase 4 (PDE4), which catalyzes the hydrolysis of cAMP, have potential applications in a variety of diseases, including asthma. Ibudilast is an inhibitor of PDE4 (IC50 = 54-239 nM) that, at higher doses, also inhibits PDE3 and PDE5 (IC50 = 1,600-3,510 nM). Through this action, it suppresses the elaboration of mediators involved in asthma and inflammation.[Cayman Chemical]

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

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