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MedKoo CAT#: 406331

CAS#: 685901-63-7

Description: Xylocydine is a novel Cdk inhibitor, which is an effective inducer of apoptosis in hepatocellular carcinoma cells in vitro and in vivo. Xylocydine also strongly inhibits the activity of Cdk7 and Cdk9, in vitro as well as in cell cultures, that is temporally associated with apoptotic cell death in xylocydine-induced HCC cells. Xylocydine can effectively suppress the growth of HCC xenografts in Balb/C-nude mice by preferentially inducing apoptosis in the xenografts, whereas the drug did not cause any apparent toxic effect on other tissues.Xylocydine is a good candidate for an anti-cancer drug for HCC therapy.

Chemical Structure

CAS# 685901-63-7

Theoretical Analysis

MedKoo Cat#: 406331
Name: Xylocydine
CAS#: 685901-63-7
Chemical Formula: C12H14BrN5O5
Exact Mass: 387.01783
Molecular Weight: 388.17
Elemental Analysis: C, 37.13; H, 3.64; Br, 20.58; N, 18.04; O, 20.61

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: Xylocydine

IUPAC/Chemical Name: 4-amino-6-bromo-7-((2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide


InChi Code: InChI=1S/C12H14BrN5O5/c13-8-4(10(15)22)5-9(14)16-2-17-11(5)18(8)12-7(21)6(20)3(1-19)23-12/h2-3,6-7,12,19-21H,1H2,(H2,15,22)(H2,14,16,17)/t3-,6+,7-,12-/m0/s1

SMILES Code: O=C(C1=C(Br)N([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)C3=NC=NC(N)=C31)N

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: 0 – 4 oC for short term (weeks to 1 month) or -20 oC for long terms (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly.

Drug Formulation: This drug may be formulated in DMSO

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

Preparing Stock Solutions

The following data is based on the product molecular weight 388.17 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.

Recalculate based on batch purity %
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

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1: Sun C, Guo XX, Zhu D, Xiao C, Bai X, Li Y, Zhan Z, Li XL, Song ZG, Jin YH. Apoptosis is Induced in Cancer Cells via the Mitochondrial Pathway by the Novel Xylocydine-Derived Compound JRS-15. Int J Mol Sci. 2013 Jan 4;14(1):850-70. doi: 10.3390/ijms14010850. PubMed PMID: 23344045; PubMed Central PMCID: PMC3565295.

2: Xiao C, Sun C, Han W, Pan F, Dan Z, Li, Song ZG, Jin YH. Synthesis of 6-(het) ary Xylocydine analogues and evaluating their inhibitory activities of CDK1 and CDK2 in vitro. Bioorg Med Chem. 2011 Dec 1;19(23):7100-10. doi: 10.1016/j.bmc.2011.10.003. Epub 2011 Oct 7. PubMed PMID: 22036212.

3: Choi BY, Lee CH. Cell cycle arrest and cytochrome c-mediated apoptotic induction by MCS-5A is associated with up-regulation of p16(INK4a) in HL-60 cells. Bioorg Med Chem Lett. 2010 Jul 1;20(13):3880-4. doi: 10.1016/j.bmcl.2010.05.037. Epub 2010 May 15. PubMed PMID: 20627562.

4: Cho SJ, Lee SS, Kim YJ, Park BD, Choi JS, Liu L, Ham YM, Moon Kim B, Lee SK. Xylocydine, a novel Cdk inhibitor, is an effective inducer of apoptosis in hepatocellular carcinoma cells in vitro and in vivo. Cancer Lett. 2010 Jan 28;287(2):196-206. doi: 10.1016/j.canlet.2009.06.011. Epub 2009 Jul 17. PubMed PMID: 19616371.

5: Ham YM, Choi KJ, Song SY, Jin YH, Chun MW, Lee SK. Xylocydine, a novel inhibitor of cyclin-dependent kinases, prevents the tumor necrosis factor-related apoptosis-inducing ligand-induced apoptotic cell death of SK-HEP-1 cells. J Pharmacol Exp Ther. 2004 Mar;308(3):814-9. Epub 2003 Nov 14. PubMed PMID: 14617691.

Additional Information