Ibudilast (HCID 3671)

개요

Ibudilast is a pyrazolopyridine.

이름 및 식별자

우선 이름: Ibudilast
IUPAC: 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
영어명: Ibudilast
분자식: C14H18N2O
분자량: 230.31

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3
극성 표면적: 34.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 288

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

Solubility1.79e-01 g/L

Physical DescriptionSolid

물리화학적 성질

녹는점: 53 · 53-54°C
끓는 점: 175 °C/7.5mmHg · 175°C/7.5mmHg(lit.)
밀도: 1.09 · 1.09
굴절률: 1.55 · 1.5500 (estimate)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 28 mg/mL, · DMSO: 28mg/mL, 용해성
물리적 상태: 고체
산도 계수 (pKa): 1.22 · 1.22±0.30(Predicted)
색상: 하얀색
Merck: 14 · 14,4879
안정성: 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 3 months.
InChI: InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3
InChIKey: ZJVFLBOZORBYFE-UHFFFAOYSA-N
SMILES: C(C1=C2N(N=C1C(C)C)C=CC=C2)(=O)C(C)C

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

독성 정보

Drug Induced Liver Injury · 4건

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

Ibudilast

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

안전 데이터

wgk: 3
rtecs: UR0711200
독성: LD50 i.v. in mice: 260 mg/kg (Irikura, 1973)
HS 번호: 2933.99.8290
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

ATC Code · 2건

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 · 4건

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

응용 분야 · 2건

개요Ibudilast 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.

용도Inhibitors 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]

상·하류 제품 정보

상류 원료

공급사50 곳

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]

연결된 노트

불러오는 중…