GSK-1120212 supplier | CasNO.871700-17-3

Name
N-[3-[3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]acetamide
EINECS
CAS No. 871700-17-3
Article Data4
CAS DataBase
Density 1.743 g/cm³
Solubility
Melting Point 300-301 °C
Formula C₂₆H₂₃FIN₅O₄
Boiling Point
Molecular Weight 615.403
Flash Point
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-[3-[3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]acetamide;GSK-1120212;Acetamide, N-(3-(3-cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-3,4,6,7-tetrahydro-6,8- dimethyl-2,4,7-trioxopyrido(4,3-d)pyrimidin-1(2H)-yl)phenyl)-;
PSA 110.62000
LogP 4.66260

GSK-1120212 Specification

The GSK-1120212, with the CAS registry number 871700-17-3, is also known as Acetamide, N-(3-(3-cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-3,4,6,7-tetrahydro-6,8- dimethyl-2,4,7-trioxopyrido(4,3-d)pyrimidin-1(2H)-yl)phenyl)-. This chemical's molecular formula is C₂₆H₂₃FIN₅O₄ and molecular weight is 615.39. What's more, its systematic name is N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamide. Its classification code is Antineoplastic. It is an orally bioavailable inhibitor of mitogen-activated protein kinase kinase (MEK MAPK/ERK kinase) with potential antineoplastic activity.

Physical properties of GSK-1120212 are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 9; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 102.06 Å²; (7)Index of Refraction: 1.734; (8)Molar Refractivity: 141.492 cm³; (9)Molar Volume: 353.09 cm³; (10)Polarizability: 56.092×10^-24cm³; (11)Surface Tension: 76.404 dyne/cm; (12)Density: 1.743 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(c(F)c1)N\C3=C\2/C(=O)N(C(=O)N(C/2=C(\C(=O)N3C)C)c4cccc(NC(=O)C)c4)C5CC5
(2)Std. InChI: InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)
(3)Std. InChIKey: LIRYPHYGHXZJBZ-UHFFFAOYSA-N

Product Name

N-[3-[3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]acetamide

GSK-1120212 Specification

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