WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 205768
CAS#: 1169562-71-3 (HCl)
Description: BMS-863233, also known as XL-413, is an orally bioavailable cell division cycle 7 homolog (CDC7) kinase inhibitor with potential antineoplastic activity. CDC7 kinase inhibitor BMS-863233 binds to and inhibits the activity of CDC7, which may result in the inhibition of DNA replication and mitosis, the induction of tumor cell apoptosis, and the inhibition of tumor cell proliferation in CDC7-overexpressing tumor cells. CDC7, a serine-threonine kinase overexpressed in a variety of tumor cell types, plays an essential role in the initiation of DNA replication by activating origins of replication.
MedKoo Cat#: 205768
Name: BMS-863233 HCl
CAS#: 1169562-71-3 (HCl)
Chemical Formula: C14H12ClN3O2
Exact Mass: 289.0618
Molecular Weight: 289.72
Elemental Analysis: C, 58.04; H, 4.17; Cl, 12.24; N, 14.50; O, 11.04
Related CAS #: 1169562-71-3 (HCl) 1169558-38-6 (free base)
Synonym: BMS863233; BMS-863233; BMS 863233; XL413; XL-413; XL 413.
IUPAC/Chemical Name: (S)-8-chloro-2-(pyrrolidin-2-yl)benzofuro[3,2-d]pyrimidin-4(3H)-one hydrochloride
InChi Key: UNDKJUKLBNARIZ-FVGYRXGTSA-N
InChi Code: InChI=1S/C14H12ClN3O2.ClH/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);1H/t9-;/m0./s1
SMILES Code: O=C1C(OC2=CC=C(Cl)C=C23)=C3N=C([C@H]4NCCC4)N1.[H]Cl
Appearance: solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble water, ethanol, slightly soluble in DMSO.
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in water or ethanol, or DMSO-water.
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 289.72 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: Koltun ES, Tsuhako AL, Brown DS, Aay N, Arcalas A, Chan V, Du H, Engst S, Ferguson K, Franzini M, Galan A, Holst CR, Huang P, Kane B, Kim MH, Li J, Markby D, Mohan M, Noson K, Plonowski A, Richards SJ, Robertson S, Shaw K, Stott G, Stout TJ, Young J, Yu P, Zaharia CA, Zhang W, Zhou P, Nuss JM, Xu W, Kearney PC. Discovery of XL413, a potent and selective CDC7 inhibitor. Bioorg Med Chem Lett. 2012 Jun 1;22(11):3727-31. doi: 10.1016/j.bmcl.2012.04.024. Epub 2012 Apr 16. Erratum in: Bioorg Med Chem Lett. 2012 Aug 1;22(15):5157. PubMed PMID: 22560567.
Related:
1169562-71-3 (BMS-863233 HCl salt)
1169558-38-6 (BMS-863233 free base).
