WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 527893
CAS#: 1370888-71-3
Description: XD14 is a novel BET bromodomain inhibitor.
MedKoo Cat#: 527893
Name: XD14
CAS#: 1370888-71-3
Chemical Formula: C20H27N3O5S
Exact Mass: 421.1671
Molecular Weight: 421.512
Elemental Analysis: C, 56.99; H, 6.46; N, 9.97; O, 18.98; S, 7.61
Synonym: XD14; XD 14; XD-14
IUPAC/Chemical Name: 4-Acetyl-N-[5-[(diethylamino)sulfonyl]-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
InChi Key: DPBKLIVPNYGQQG-UHFFFAOYSA-N
InChi Code: InChI=1S/C20H27N3O5S/c1-6-15-18(13(5)24)12(4)21-19(15)20(26)22-16-11-14(9-10-17(16)25)29(27,28)23(7-2)8-3/h9-11,21,25H,6-8H2,1-5H3,(H,22,26)
SMILES Code: O=C(C1=C(CC)C(C(C)=O)=C(C)N1)NC2=CC(S(=O)(N(CC)CC)=O)=CC=C2O
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 in DMSO
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
The following data is based on the product molecular weight 421.512 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: Sahni JM, Keri RA. Targeting bromodomain and extraterminal proteins in breast cancer. Pharmacol Res. 2018 Mar;129:156-176. doi: 10.1016/j.phrs.2017.11.015. Epub 2017 Nov 16. Review. PubMed PMID: 29154989; PubMed Central PMCID: PMC5828951.
2: Pan D, Kather M, Willmann L, Schlimpert M, Bauer C, Lagies S, Schmidtkunz K, Eisenhardt SU, Jung M, Günther S, Kammerer B. Metabolic Response to XD14 Treatment in Human Breast Cancer Cell Line MCF-7. Int J Mol Sci. 2016 Oct 24;17(10). pii: E1772. PubMed PMID: 27783056; PubMed Central PMCID: PMC5085796.
3: Hügle M, Lucas X, Weitzel G, Ostrovskyi D, Breit B, Gerhardt S, Einsle O, Günther S, Wohlwend D. 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J Med Chem. 2016 Feb 25;59(4):1518-30. doi: 10.1021/acs.jmedchem.5b01267. Epub 2016 Jan 14. PubMed PMID: 26731611.
