PD-169316

HCID 4712

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Grundinformationen

CAS: 152121-53-4
Standard-SMILES: O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIKey: BGIYKDUASORTBB-UHFFFAOYSA-N
Summenformel: C20H13FN4O2
Durchschnittliche Molmasse: 360,3 g/mol
Monoisotopische Masse: 360,10225383

Überblick

PD169316 is a member of the class of imidazoles that is 1H-imidazole in which the hydrogens at positions 2, 4, and 5 are replaced by 4-nitrophenyl, 4-fluorophenyl, and pyridin-4-yl groups, respectively. It is a potent inhibitor of p38 MAP kinase (IC50 = 89 nM). It has a role as an antiviral agent and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of imidazoles, a member of pyridines, a C-nitro compound and a member of monofluorobenzenes.

Namen und Bezeichner

Bevorzugter Name: PD-169316
IUPAC: 4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine
Englischer Name: PD 169316
Summenformel: C20H13FN4O2
Molmasse: 360.34

Namen und Synonyme

152121-53-4PD 169316PD-169316PD1693164-(4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl)pyridine4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridineGX3Y2V80CVJ1.342.800J2-(4-Nitrophenyl)-4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazolePD168316Pyridine, 4-(4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl)-DTXSID8042684

Weitere Namen anzeigen

CS-497PD169317PD 169316, >97%PD 169316, >=98%PD169316(hanDMSO)PD169316/PD-169316SB-203580 analogue (1)PD 169316 - CAS 152121-53-4 - Calbiochem4-[5-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-iMidazol-4-yl]pyridine

Pyridine, 4-(5-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-4-yl)-Pyridine, 4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]-RefChem:858791DTXCID60226844-(4-Fluorophenyl)-2-(4-nitrophenyl)-5-(4-pyridyl)-1H-imidazoleMFCD12405019CHEMBL17331EX-A219

Datenbank-Bezeichner

CAS: 152121-53-4
PubChem CID: 4712
DTXSID: DTXSID8042684
ChEMBL: CHEMBL17331
ChEBI: CHEBI:93358
UNII: GX3Y2V80CV
EC Number: 633-972-5
Nikkaji: J1.342.800J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,9
Polarare Oberfläche (TPSA): 87,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 27
Formalladung: 0
Komplexität: 495

Physikochemische Eigenschaften

Siedepunkt: 583.1 · 583.1±50.0 °C(Predicted)
Dichte: 1.354 · 1.354±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: 10 mg/mL · DMSO: >10mg/mL
Aggregatzustand: solid
pka: 9.09 · 9.09±0.10(Predicted)
Farbe: light orange
InChI: 1S/C20H13FN4O2/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(8-4-15)25(26)27/h1-12H,(H,23,24)
InChIKey: BGIYKDUASORTBB-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc(cc1)-c2nc(-c3ccc(F)cc3)c([nH]2)-c4ccncc4

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (97.5%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 2933399990
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-39
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Anwendungen · 2 Einträge

Beschreibungp38 is a member of the mitogen-activated protein kinase (MAPK) superfamily of enzymes that play an important role in signal transduction. PD 169316 is a selective inhibitor of p38 MAPK. It inhibits p38 MAPK with an IC50 of 89 nM, whereas the IC50s are >100-fold higher for extracellular signal-regulated kinase (ERK) and >1,000-fold higher for protein kinase A (PKA) and PKCα. PD 169316 inhibits apoptosis of neuronal and non-neuronal cells deprived of specific trophic factors such as potassium or nerve growth factor.

VerwendenPD 169316 is a highly selective, potent inhibitor of p38 MAP kinase. PD 169316 inhibits transforming growth factor β-induced Smad signaling in human ovarian cancer cells. PD 169316 acts as an an endogenous suppressor of apoptosis by mimicking CD9, a membrane tetraspanin. Studies show that PD 169316 reduces myocardial ischemia/reperfusion induced voltage-dependent anion channel(VDAC) phosphorylation

Anbieter100 Anbieter

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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