Jnj-7706621

HCID 5330790

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Grundinformationen

CAS: 443797-96-4
Standard-SMILES: Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F
InChIKey: KDKUVYLMPJIGKA-UHFFFAOYSA-N
Summenformel: C15H12F2N6O3S
Durchschnittliche Molmasse: 394,4 g/mol
Monoisotopische Masse: 394,06596568

Überblick

4-[[5-amino-1-[(2,6-difluorophenyl)-oxomethyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide is a sulfonamide.

Namen und Bezeichner

Bevorzugter Name: Jnj-7706621
IUPAC: 4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
Englischer Name: JNJ-7706621
Summenformel: C15H12F2N6O3S
Molmasse: 394.36

Namen und Synonyme

443797-96-4JNJ-77066214-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamideAurora Kinase/Cdk InhibitorJNJ-77066274GK72DON8DTXSID40416207Benzenesulfonamide, 4-((5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl)amino)-4-((5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl)amino)benzenesulfonamideBenzenesulfonamide, 4-[[5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl]amino]-RefChem:150556DTXCID70367056

Weitere Namen anzeigen

CS-409JNJ-7706621 ，S1249JNJ-7706621 USP/EP/BPJNJ 7706621JNJ-7706621, 10 mM in DMSOJNJ-7706621 JNJ7706621 Aurora Kinase Cdk InhibitorAurora Kinase/Cdk Inhibitor - CAS 443797-96-4 - Calbiochem

1H-1,2,4-TRIAZOLE-3,5-DIAMINE, N3-(4-(AMINOSULFONYL)PHENYL)-1-(2,6-DIFLUOROBENZOYL)-4-((5-AMINO-1-(2,6-DIFLUOROBENZOYL)-1H-(1,2,4)TRIAZOL-3-YL)AMINO)BENZENESULFONAMIDEJNJ77066214-((5-Amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl)amino)benzenesulfonamide4-[[5-Amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl]amino]benzenesulfonamideRWJ-3872524-({5-Amino-1-[(2,6-Difluorophenyl)carbonyl]-1h-1,2,4-Triazol-3-Yl}amino)benzenesulfonamideMFCD11100270CHEMBL191003

Datenbank-Bezeichner

CAS: 443797-96-4
PubChem CID: 5330790
DTXSID: DTXSID40416207
ChEMBL: CHEMBL191003
ChEBI: CHEBI:94506
UNII: 74GK72DON8
Nikkaji: J2.856.873H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 154 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 10
Frei drehbare Bindungen: 4
Schwere Atome: 27
Formalladung: 0
Komplexität: 630

Experimentelle und physikochemische Eigenschaften

LogP1.87

Physikochemische Eigenschaften

Schmelzpunkt: 149 · 149-155℃
Siedepunkt: 676.6 · 676.6±65.0 °C(Predicted)
Dichte: 1.71 · 1.71
storage temp.: 2 C · +2C to +8C
Löslichkeit: 15 mg/ml · Soluble in DMSO at 15mg/ml
Aggregatzustand: White solid
pka: 9.8 · 9.80±0.12(Predicted)
Farbe: White to off-white
InChI: 1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
InChIKey: KDKUVYLMPJIGKA-UHFFFAOYSA-N
SMILES: Fc1c(c(ccc1)F)C(=O)N2NC(=NC2=N)Nc3ccc(cc3)[S](=O)(=O)N

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: WGK 3
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungJNJ-7706621 is a dual inhibitor of cyclin-dependent kinases (CDKs) and Aurora kinases. It potently inhibits Cdk1/cyclin B, Cdk2/cyclin A, Cdk2/cyclin E, Cdk3/cyclin E, Cdk4/cyclin D1, Cdk6/cyclin D1, Aurora A, and Aurora B in vitro (IC50s = 9, 4, 3, 58, 253, 175, 11, and 15 nM, respectively). It shows selectivity for these enzymes over a panel of other receptors and kinases, although it exhibits submicromolar inhibition of VEGF and FGF receptors, as well as GSK3β. JNJ-7706621 blocks the growth of a large variety of cancer cell lines (IC50 values range from 112 to 514 nM), with lower potency against normal cells (IC50 values between 3.67 and 5.42 μM). It induces the regression of A375 melanoma human tumor xenografts in mice. JNJ-7706621 is a substrate for the ATP-binding cassette transporter G2, also known as breast cancer resistance protein.

VerwendenJNJ-770662 is a broad spectrum inhibitor of cyclin-dependent kinases and aurora kinases including CDK1/Cyclin B, CDK2/Cyclin A, CDK2/Cyclin E, Aurora-A and Aurora-B. JNJ-770662 has been shown to induce growth suppression and mitotic defects, these results suggest that JNJ-7706621 could be useful for cell cycle analysis and therapy of various cancers, including Ewing''s sarcoma.