ZM 336372
Grundinformationen
- CAS
208260-29-1- Standard-SMILES
Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(O)cc1- InChIKey
PYEFPDQFAZNXLI-UHFFFAOYSA-N- Summenformel
- C23H23N3O3
- Durchschnittliche Molmasse
- 389,4 g/mol
- Monoisotopische Masse
- 389,1739416
Überblick
3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-methylphenyl]benzamide is a member of benzamides.
Namen und Bezeichner
- Bevorzugter Name
- ZM 336372
- IUPAC
- 3-(dimethylamino)-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]benzamide
- Englischer Name
- ZM 336372
- Summenformel
- C23H23N3O3
- Molmasse
- 389.45
Namen und Synonyme
208260-29-1ZM 336372ZM336372ZM-336372DTXSID702744783-dimethylamino-N-(3-((4-hydroxybenzoyl)amino)-4-methylphenyl)benzamide3-dimethylamino-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]benzamideRefChem:495046DTXCID402259573-(dimethylamino)-N-(3-(4-hydroxybenzamido)-4-methylphenyl)benzamideN-[5-(3-Dimethylaminobenzamido)-2-methylphenyl]-4-hydroxybenzamideBenzamide, 3-(dimethylamino)-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]-
Weitere Namen anzeigen
CS-44Zinc00581684ZM 336372, >=98%ZM 336372 ，S2720Probucol (DH-581)ZM 336372 USP/EP/BPZM 336372, 10 mM in DMSOZINC00581684
3-(dimethylamino)-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]benzamideBio1_001346MFCD02683971BiomolKI2_000059KBioSS_000580CHEMBL1865263-(dimethylamino)-N-[3-(4-hydroxybenzamido)-4-methylphenyl]benzamideBio1_000857
Datenbank-Bezeichner
- CAS
208260-29-1- PubChem CID
- 5730
- DTXSID
DTXSID70274478- ChEMBL
CHEMBL186526- ChEBI
CHEBI:95033- EC Number
- 106-467-8
- Nikkaji
- J1.735.950I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 81,7 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 560
Experimentelle und physikochemische Eigenschaften
LogP2.65
Physikochemische Eigenschaften
- Siedepunkt
- 484.4 · 484.4±45.0 °C(Predicted)
- Dichte
- 1.298 · 1.298
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- Löslichkeit
- 5 mg/mL · DMSO: >5mg/mL (warmed)
- pka
- 8.31 · 8.31±0.15(Predicted)
- Aggregatzustand
- powder
- Farbe
- white to beige
- Stabilität
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 1 month.
- InChI
- 1S/C23H23N3O3/c1-15-7-10-18(24-23(29)17-5-4-6-19(13-17)26(2)3)14-21(15)25-22(28)16-8-11-20(27)12-9-16/h4-14,27H,1-3H3,(H,24,29)(H,25,28)
- InChIKey
- PYEFPDQFAZNXLI-UHFFFAOYSA-N
- SMILES
- N(C)(C)c1cc(ccc1)C(=O)Nc2cc(c(cc2)C)NC(=O)c3ccc(cc3)O
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
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Sens. 1B (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2924297099
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Chronic 4Skin Sens. 1B
Chemie und Industrie
Anwendungen
BeschreibungThe Ras/Raf-1 signalling pathway is a well-characterized system that links receptor tyrosine kinase (RTK) activation with changes in gene expression and cell behavior. Raf-1 is a serine/threonine protein kinase that phosphorylates and activates MAPK-kinase (MEK) in response to activation by Ras. ZM 336372 is a potent ATP-competitive inhibitor of Raf-1 in vitro (IC50 = 70 nM) with the paradoxical effect of inducing >100-fold activation of Raf-1 in whole cells. Activation of the Raf-1 signalling pathway using ZM 336372 in human carcinoid tumor cells results in induction of cell cycle inhibitors and suppression of cellular proliferation.
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