Imd-0354

HCID 5081913CAS 978-62-1

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Grundinformationen

Standard-SMILES: O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O
InChIKey: CHILCFMQWMQVAL-UHFFFAOYSA-N
Summenformel: C15H8ClF6NO2
Durchschnittliche Molmasse: 383,67 g/mol
Monoisotopische Masse: 383,0147752

Namen und Bezeichner

Bevorzugter Name: Imd-0354
IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
Englischer Name: IMD-0354
Summenformel: C15H8ClF6NO2
Molmasse: 383.67

Namen und Synonyme

978-62-1IMD-0354IMD 0354N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamideN-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamideIMD035476145IS906DTXSID50243248Benzamide, N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxy-3',5'-Salicyloxylidide, 5-chloro-alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-Benzamide, N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-RefChem:147935

Weitere Namen anzeigen

IMD 0354 ，S2864IMD-0354 USP/EP/BPIMD-0354, 10 mM in DMSOIMD 0354, IKKbeta inhibitorIKK-2 Inhibitor V - CAS 978-62-1 - CalbiochemIMD-0354, 99%, a synthetic selective NF-kB inhibitorIMD0354,IκB kinase,Inhibitor,I kappa B kinase,IKK,inhibit,IMD-0354

DTXCID50165739635-542-2IKK-2 Inhibitor VTCMDC-125465MFCD00218820IKK-2-inhibitor-VSCHEMBL129165CHEMBL536151

Datenbank-Bezeichner

CAS: 978-62-1
PubChem CID: 5081913
DTXSID: DTXSID50243248
ChEMBL: CHEMBL536151
ChEBI: CHEBI:93310
UNII: 76145IS906
EC Number: 635-542-2
Nikkaji: J2.260.032J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,2
Polarare Oberfläche (TPSA): 49,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 8
Frei drehbare Bindungen: 2
Schwere Atome: 25
Formalladung: 0
Komplexität: 462

Physikochemische Eigenschaften

Siedepunkt: 323.1 · 323.1±42.0 °C(Predicted)
Dichte: 1.561 · 1.561
storage temp.: -20 °C · -20°C
Löslichkeit: DMSO (5 mg/ml) or Ethanol (1 mg/ml).
pka: 7.61 · 7.61±0.43(Predicted)
Aggregatzustand: White solid
Farbe: White to off-white
InChI: 1S/C15H8ClF6NO2/c16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,24H,(H,23,25)
InChIKey: CHILCFMQWMQVAL-UHFFFAOYSA-N
SMILES: Oc1ccc(Cl)cc1C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F
CAS Datenbank: 978 · 978-62-1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29242990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenIMD-0354 has been used to study the effect of NF-κB (nuclear factor) inhibition on differentially expressed in chondrocytes 2. It has also been used to study the role of NF-κB signaling in tumor necrosis factor-induced certain transcription factors expression using human primary fibroblasts.