SML1401

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
• 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

Properties

• 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

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 Information

• Pictograms: GHS06
• Signal Word: Danger
• Hazard Statements: H301
• Precautionary Statements: P264 - P270 - P301 + P310 - P405 - P501
• Hazard Classifications: Acute Tox. 3 Oral
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable