| Identification | Back Directory | [Name]
1H-Pyrrole-2-carboxaMide, 4-[2-[(2-chloro-4-fluorophenyl)aMino]-5-Methyl-4-pyriMidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]- | [CAS]
896720-20-0 | [Synonyms]
VX 11e
VX-11e
CS-1121
VTX-11e
Vertex-11e
TCS ERK 11e
VX-11E;VX 11E
VX-11e(TCS ERK 11e)
TCS ERK 11e (VX-11e)
VX 11E;VX11 E; TCS ERK 11E
(S)-4-(2-((2-chloro-4-fluorophenyl)amino)-5-methylpyrimidin-4-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide
4-[2-[(2-Chloro-4-fluorophenyl)amino]-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
1H-Pyrrole-2-carboxaMide, 4-[2-[(2-chloro-4-fluorophenyl)aMino]-5-Methyl-4-pyriMidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]- | [Molecular Formula]
C24H20Cl2FN5O2 | [MDL Number]
MFCD18433366 | [MOL File]
896720-20-0.mol | [Molecular Weight]
500.35 |
| Chemical Properties | Back Directory | [density ]
1.447±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Store in freezer, under -20°C | [solubility ]
≥25 mg/mL in DMSO; insoluble in H2O; ≥12.65 mg/mL in EtOH with ultrasonic | [form ]
solid | [pka]
13.65±0.50(Predicted) | [color ]
White to off-white | [InChIKey]
WUTVMXLIGHTZJC-OAQYLSRUSA-N | [SMILES]
N1C=C(C2C(C)=CN=C(NC3=CC=C(F)C=C3Cl)N=2)C=C1C(N[C@@H](C1=CC=CC(Cl)=C1)CO)=O |
| Hazard Information | Back Directory | [Uses]
VX 11e is a pyrimidylpyrrole ERK inhibitor. | [Definition]
ChEBI: 4-[2-(2-chloro-4-fluoroanilino)-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide is a heteroarene and an aromatic amide. | [in vivo]
VX-11e is orally bioavailable in both rat and mice[1]. VX-11e (50 mg/kg, p.o.) results in robust inhibition of pRSK, and inhibits tumor growth in NSG mice bearing human melanoma RPDX tumors. VX-11e with BKM120 significantly improves tumor growth inhibition[2]. | [IC 50]
ERK2: 2 nM (Ki); GSK3: 395 (Ki); AURA: 540 (Ki); CDK2: 852 (Ki) | [storage]
Store at -20°C |
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