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XL413 hydrochloride

SIGMA/SML1401 - ≥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)
Linear Formula: C14H12ClN3O2 · xHCl
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-SML1401-5MG 5 mg
 $233.00
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45-SML1401-25MG 25 mg
 $731.00
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assay ≥98% (HPLC)
color white to beige
form powder
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
Quality Level 100 
SMILES string ClC1=CC2=C(C=C1)OC3=C2N=C([C@H]4NCCC4)NC3=O.C
solubility H2O: 5 mg/mL, clear
storage condition desiccated
storage temp. −20°C
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.
Biochem/physiol Actions: XL413 is a selective inhibitor of the serine-threonine kinase CDC7.
Packaging: 5, 25 mg in glass bottle
Symbol GHS06  GHS06
Signal word Danger
Hazard statements H301
Precautionary statements P301 + P310 + P330
RIDADR UN 2811 6.1 / PGIII
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity ≥98% (HPLC)
Storage Temp. −20°C
UNSPSC 12352200

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