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| Targets |
XD14 targets BET (bromodomain and extra-terminal) proteins, including BRD2, BRD3, and BRD4. These proteins are epigenetic readers that bind to acetylated histones and regulate gene expression. XD14 binds to BRD4(1) with a Kd of 160 nM, BRD2(1) with a Kd of 170 nM, and BRD3(1) with a Kd of 380 nM. It also inhibits BRDT(1).
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| ln Vitro |
In vitro, XD14 is a potent BET inhibitor with binding affinities (Kd) of 160 nM for BRD4(1), 170 nM for BRD2(1), 380 nM for BRD3(1), 490 nM for BRD3(2), 830 nM for BRD2(2), and 850 nM for BRD4(2). It exhibits antitumor effects by inhibiting BET-mediated transcriptional regulation of oncogenes.
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| ln Vivo |
In vivo activity data for XD14 are limited in the available literature. As a potent BET inhibitor with antitumor effects, it has potential applications in cancer therapy. Its ability to inhibit BET proteins suggests it may suppress the expression of oncogenes such as MYC, but systematic in vivo efficacy studies are needed to confirm its antitumor activity in animal models.
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| Enzyme Assay |
In vitro receptor binding assays for XD14 are performed using purified bromodomain proteins (BRD2, BRD3, BRD4, BRDT). Binding affinity (Kd) is measured using surface plasmon resonance (SPR), fluorescence polarization, or AlphaScreen technology. The compound is titrated against the bromodomain proteins, and Kd values are calculated from binding curves.
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| Cell Assay |
In vitro cellular assays for XD14 are performed using cancer cell lines. Cells are treated with the compound, and BET target gene expression (e.g., MYC) is measured by qRT-PCR or Western blotting. Cell viability, proliferation, and apoptosis are assessed using standard assays such as MTT, CellTiter-Glo, or flow cytometry. Antitumor activity is evaluated by measuring the compound's ability to inhibit cell growth.
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| Animal Protocol |
In vivo animal experiments for XD14 are not extensively documented. As a potential antitumor agent, in vivo studies would typically involve administration to mouse xenograft models. The compound would be administered via intraperitoneal or oral routes, and efficacy would be assessed by measuring tumor volume reduction, target gene expression in tumor tissues, and apoptosis markers.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of XD14 have been characterized in part. The compound has a molecular weight of 421.51 and molecular formula C₂₀H₂₇N₃O₅S. Its chemical name is 4-Acetyl-N-[5-[(diethylamino)sulfonyl]-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide. It is supplied with purity ≥98%. Further PK details are available from the manufacturer's data sheets.
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| Toxicity/Toxicokinetics |
Toxicological data for XD14 are not extensively reported. As a research-use compound, its safety profile has not been formally evaluated in comprehensive preclinical toxicology studies. The compound is intended for research purposes only and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling this compound.
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| References |
: 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.
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| Additional Infomation |
XD14 is a potent BET bromodomain inhibitor with antitumor effects. It binds to BRD2, BRD3, and BRD4 with Kd values of 170 nM, 380 nM, and 160 nM, respectively. The compound is used in cancer research to study BET protein function and epigenetic regulation of gene expression. This product is for research use only.
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| Molecular Formula |
C20H27N3O5S
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| Molecular Weight |
421.512 Exact Mass
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| Exact Mass |
421.167
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| CAS # |
1370888-71-3
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| Related CAS # |
1370888-71-3
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| PubChem CID |
52670832
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Index of Refraction |
1.592
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| LogP |
2.38
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
29
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| Complexity |
689
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(C1C=CC(=C(C=1)NC(C1=C(CC)C(C(C)=O)=C(C)N1)=O)O)(N(CC)CC)(=O)=O
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| InChi Key |
DPBKLIVPNYGQQG-UHFFFAOYSA-N
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| 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)
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| Chemical Name |
4-Acetyl-N-[5-[(diethylamino)sulfonyl]-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
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| Synonyms |
XD14 XD 14 XD-14
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~125 mg/mL (~296.55 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.93 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (4.93 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Products are for research use only; We do not sell to patients
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