SML1401

XL413 hydrochloride

≥98% (HPLC)

• Synonyme(s) : (S)-8-Chloro-2-(pyrrolidin-2-yl)benzofuro[3,2-d]pyrimidin-4(3H)-one hydrochloride, BMS-863233, XL-413
• Formule empirique (notation de Hill): C₁₄H₁₂ClN₃O₂ · xHCl
• Numéro CAS: 1169562-71-3
• Poids moléculaire : 289.72 (free base basis)
• Code UNSPSC : 12352200
• ID de substance PubChem : 329825849
• Nomenclature NACRES : NA.77

Propriétés

• Niveau de qualité: 100
• Pureté: ≥98% (HPLC)
• Forme: powder
• Conditions de stockage: desiccated
• Couleur: white to beige
• Solubilité: H₂O: 5 mg/mL, clear
• Température de stockage: −20°C
• Chaîne SMILES: 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
• Clé InChI: UYBMDYGAVMHMGF-FVGYRXGTSA-N

Description

Actions biochimiques/physiologiques

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.

Informations sur la sécurité

• Pictogrammes: GHS06
• Mention d'avertissement: Danger
• Mentions de danger: H301
• Conseils de prudence: P264 - P270 - P301 + P310 - P405 - P501
• Classification des risques: Acute Tox. 3 Oral
• Code de la classe de stockage: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable