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SML1401 Sigma-Aldrich

XL413 hydrochloride

≥98% (HPLC)

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

  • CAS Number 1169562-71-3

  • Empirical Formula (Hill Notation) C14H12ClN3O2 · xHCl

  • Molecular Weight 289.72 (free base basis)

  •  PubChem Substance ID 329825849

  •  NACRES NA.77

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Properties

Related Categories Bioactive Small Molecule Alphabetical Index, Bioactive Small Molecules, Cdc7 (cell division cycle 7 hoolog), Cell Biology, Cell Signaling and Neuroscience,
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

Description

Packaging

5, 25 mg in glass bottle

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.

Safety & Documentation

Safety Information

Symbol 
GHS06  GHS06
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN 2811 6.1 / PGIII
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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