Analyte Name

Amgen IRE1alpha Inhibitor

CAS Number

1630086-20-2

Molecular Formula

C31H29ClN6O3S

Molecular Weight

601.12

Accurate Mass

600.17

SMILES

N(S(=O)(=O)C1=C(Cl)C=CC=C1)C=2C3=C(C(OC4=C(C=CC=N4)C5=NC(N[C@H]6CCCNC6)=NC=C5)=C(C)C=C3)C=CC2

InChI

InChI=1S/C31H29ClN6O3S/c1-20-13-14-22-23(8-4-11-27(22)38-42(39,40)28-12-3-2-10-25(28)32)29(20)41-30-24(9-6-17-34-30)26-15-18-35-31(37-26)36-21-7-5-16-33-19-21/h2-4,6,8-15,17-18,21,33,38H,5,7,16,19H2,1H3,(H,35,36,37)/t21-/m0/s1

IUPAC

(S)-2-chloro-N-(6-methyl-5-((3-(2-(piperidin-3-ylamino)pyrimidin-4-yl)pyridin-2-yl)oxy)naphthalen-1-yl)benzenesulfonamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat