Nimbolide, CyclinA and ERK1/2 inhibitor

Key facts

CAS number

25990-37-8

Purity

>97%

Form

Solid

form

Source

Azadirachta indica

Molecular weight

466.5 Da

Molecular formula

C₂₇H₃₀O₇

PubChem

100017

Nature

Native

Solubility

Soluble in DMSO to 100 mM

Biochemical name

Methyl 2-[6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate

Biological description

CyclinA and ERK1/2 inhibitor. Terpenoid lactone derived from Azadirachta indica. Proapoptotic and anticancer activity in vivo.

Canonical smiles

CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C6C4OC(=O)C6(C=CC5=O)C)C)CC(=O)OC)C

InChi

InChI=1S/C27H30O7/c1-13-15(14-7-9-32-12-14)10-16-20(13)27(4)17(11-19(29)31-5)26(3)18(28)6-8-25(2)22(26)21(23(27)33-16)34-24(25)30/h6-9,12,15-17,21-23H,10-11H2,1-5H3

InChiKey

JZIQWNPPBKFOPT-UHFFFAOYSA-N

IUPAC Name

methyl 2-[6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate