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SML1168

WZ4002

≥98% (HPLC)

Synonym(s):

N-[3-[[5-Chloro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide, WZ-4002

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About This Item

Empirical Formula (Hill Notation):
C25H27ClN6O3
CAS Number:
1213269-23-8
Molecular Weight:
494.97
NACRES:
NA.77
PubChem Substance ID:
329825698
UNSPSC Code:
12352202
MDL number:
MFCD16621244
Assay:
≥98% (HPLC)
Form:
powder
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Quality Segment

100

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 5 mg/mL, clear (warmed)

storage temp.

−20°C

SMILES string

CN(CC1)CCN1C2=CC(OC)=C(NC3=NC=C(Cl)C(OC4=CC(NC(C=C)=O)=CC=C4)=N3)C=C2

InChI

1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)

InChI key

ITTRLTNMFYIYPA-UHFFFAOYSA-N

Biochem/physiol Actions

WZ4002 is effective in the treatment of lung adenocarcinomas due to EGFR (epidermal growth factor receptor) mutations.
WZ4002 is an irreversible inhibitor of the gatekeeper EGFR-T790M kinase.
WZ4002 is an irreversible inhibitor of the gatekeeper EGFR-T790M mutation that binds to the active conformation of the EGFR kinase forming a covalent bond with Cys 797.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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