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SML1401

Sigma-Aldrich

XL413 hydrochloride

≥98% (HPLC)

Synonym(s):

(S)-8-Chloro-2-(pyrrolidin-2-yl)benzofuro[3,2-d]pyrimidin-4(3H)-one hydrochloride, BMS-863233, XL-413

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About This Item

Empirical Formula (Hill Notation):
C14H12ClN3O2 · xHCl
CAS Number:
1169562-71-3
Molecular Weight:
289.72 (free base basis)
UNSPSC Code:
12352200
PubChem Substance ID:
329825849
NACRES:
NA.77

Quality Level

100

assay

≥98% (HPLC)

form

powder

storage condition

desiccated

color

white to beige

solubility

H2O: 5 mg/mL, clear

storage temp.

−20°C

SMILES string

ClC1=CC2=C(C=C1)OC3=C2N=C([C@H]4NCCC4)NC3=O.C

InChI

1S/C14H12ClN3O2.CH4/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9;/h3-4,6,9,16H,1-2,5H2,(H,17,18,19);1H4/t9-;/m0./s1

InChI key

UYBMDYGAVMHMGF-FVGYRXGTSA-N

Biochem/physiol Actions

XL413 is a selective inhibitor of the serine-threonine kinase CDC7 (cell division cycle 7 homolog), a regulator of cell cycle checkpoint control that has been implicated in protecting tumor cells from apoptotic cell death during replication stress. XL413 has an IC50 of 3.4 nM for CDC7, compared to 215 nM, 42 nM and 18 nM for CK2, PIM1 and pMCM2, respectively. XL413 caused significant tumor growth regression in rodent models, causing cell cycle arrest in the late S to G2 phase.

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Certificates of Analysis (COA)

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