MedKoo Cat#: 206539 | Name: CXD101 HCl

Description:

WARNING: This product is for research use only, not for human or veterinary use.

CXD101, laos known as AZD-9468, is a novel histone deacetylase (HDAC) inhibitor. CXD101 is also known as HDAC-IN-4, is a histone deacetylase (HDAC) inhibitor. CXD101 inhibits the catalytic activity of HDAC, which results in an accumulation of highly acetylated histones, followed by the induction of chromatin remodeling and an altered pattern of gene expression. HDAC, a family of enzymes upregulated in many tumor types, deacetylates chromatin-associated histone proteins.

Chemical Structure

CXD101 HCl
CXD101 HCl
CAS#CXD101 HCl

Theoretical Analysis

MedKoo Cat#: 206539

Name: CXD101 HCl

CAS#: CXD101 HCl

Chemical Formula: C24H31Cl2N5O

Exact Mass: 0.0000

Molecular Weight: 476.45

Elemental Analysis: C, 60.50; H, 6.56; Cl, 14.88; N, 14.70; O, 3.36

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Synonym
CXD101; CXD-101; CXD 101; AZD9468; AZD-9468; AZD 9468; HDAC-IN-4; CXD101 HCl;
IUPAC/Chemical Name
N-(2-Amino-phenyl)-4-[1-(1,3-dimethyl-1H-pyrazol-4-ylmethyl)-piperidin-4-yl]-benzamide dihydrochloride
InChi Key
VSQJUFMIMDXNSS-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H29N5O.2ClH/c1-17-21(15-28(2)27-17)16-29-13-11-19(12-14-29)18-7-9-20(10-8-18)24(30)26-23-6-4-3-5-22(23)25;;/h3-10,15,19H,11-14,16,25H2,1-2H3,(H,26,30);2*1H
SMILES Code
O=C(C1=CC=C(C=C1)C2CCN(CC2)CC3=CN(N=C3C)C)NC4=CC=CC=C4N.[H]Cl.[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 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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 476.45 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
1: Liu J, Qian C, Zhu Y, Cai J, He Y, Li J, Wang T, Zhu H, Li Z, Li W, Hu L. Design, synthesis and evaluate of novel dual FGFR1 and HDAC inhibitors bearing an indazole scaffold. Bioorg Med Chem. 2017 Dec 29. pii: S0968-0896(17)32183-1. doi: 10.1016/j.bmc.2017.12.041. [Epub ahead of print] PubMed PMID: 29317150. 2: Yao R, Han D, Sun X, Xie Y, Wu Q, Fu C, Yao Y, Li H, Li Z, Xu K. Scriptaid inhibits cell survival, cell cycle and promotes apoptosis in multiple myeloma via epigenetic regulation of p21. Exp Hematol. 2018 Jan 2. pii: S0301-472X(17)30911-6. doi: 10.1016/j.exphem.2017.12.012. [Epub ahead of print] PubMed PMID: 29305109. 3: Lee HY, Nepali K, Huang FI, Chang CY, Lai MJ, Li YH, Huang HL, Yang CR, Liou JP. (N-Hydroxycarbonylbenylamino)quinolines as Selective Histone Deacetylase 6 Inhibitors Suppress Growth of Multiple Myeloma in vitro and in Vivo. J Med Chem. 2018 Jan 5. doi: 10.1021/acs.jmedchem.7b01404. [Epub ahead of print] PubMed PMID: 29304284. 4: Soukupova J, Bertran E, Peñuelas-Haro I, Urdiroz-Urricelqui U, Borgman M, Kohlhof H, Fabregat I. Resminostat induces changes in epithelial plasticity of hepatocellular carcinoma cells and sensitizes them to sorafenib-induced apoptosis. Oncotarget. 2017 Nov 30;8(66):110367-110379. doi: 10.18632/oncotarget.22775. eCollection 2017 Dec 15. PubMed PMID: 29299154; PubMed Central PMCID: PMC5746389. 5: Arrizabalaga O, Moreno-Cugnon L, Auzmendi-Iriarte J, Aldaz P, de Cáceres II, Garros-Regulez L, Moncho-Amor V, Torres-Bayona S, Pernía O, Pintado-Berninches L, Carrasco-Ramirez P, Cortes-Sempere M, Rosas R, Sanchez-Gomez P, Ruiz I, Caren H, Pollard S, Garcia I, Sacido AA, Lovell-Badge R, Belda-Iniesta C, Sampron N, Perona R, Matheu A. High expression of MKP1/DUSP1 counteracts glioma stem cell activity and mediates HDAC inhibitor response. Oncogenesis. 2017 Dec 14;6(12):401. doi: 10.1038/s41389-017-0003-9. PubMed PMID: 29284798. 6: Damaskos C, Tomos I, Garmpis N, Karakatsani A, Dimitroulis D, Garmpi A, Spartalis E, Kampolis CF, Tsagkari E, Loukeri AA, Margonis GA, Spartalis M, Andreatos N, Schizas D, Kokkineli S, Antoniou EA, Nonni A, Tsourouflis G, Markatos K, Kontzoglou K, Kostakis A, Tomos P. Histone Deacetylase Inhibitors as a Novel Targeted Therapy Against Non-small Cell Lung Cancer: Where Are We Now and What Should We Expect? Anticancer Res. 2018 Jan;38(1):37-43. Review. PubMed PMID: 29277754. 7: Harrison IF, Smith AD, Dexter DT. Pathological histone acetylation in Parkinson's disease: Neuroprotection and inhibition of microglial activation through SIRT 2 inhibition. Neurosci Lett. 2017 Dec 19;666:48-57. doi: 10.1016/j.neulet.2017.12.037. [Epub ahead of print] PubMed PMID: 29273397. 8: Xu J, Sun J, Wang P, Ma X, Li S. Pendant HDAC inhibitor SAHA derivatised polymer as a novel prodrug micellar carrier for anticancer drugs. J Drug Target. 2017 Dec 27:1-10. doi: 10.1080/1061186X.2017.1419355. [Epub ahead of print] PubMed PMID: 29251528. 9: Brookes RL, Crichton S, Wolfe CDA, Yi Q, Li L, Hankey GJ, Rothwell PM, Markus HS. Sodium Valproate, a Histone Deacetylase Inhibitor, Is Associated With Reduced Stroke Risk After Previous Ischemic Stroke or Transient Ischemic Attack. Stroke. 2018 Jan;49(1):54-61. doi: 10.1161/STROKEAHA.117.016674. Epub 2017 Dec 15. PubMed PMID: 29247141. 10: Li Q, Ding C, Meng T, Lu W, Liu W, Hao H, Cao L. Butyrate suppresses motility of colorectal cancer cells via deactivating Akt/ERK signaling in histone deacetylase dependent manner. J Pharmacol Sci. 2017 Dec;135(4):148-155. doi: 10.1016/j.jphs.2017.11.004. Epub 2017 Nov 24. PubMed PMID: 29233468. 11: Chidambaram A, Kavya SH, Chidambaram RK, Subbiah R, Jayaraj JM, Muthusamy K, Vilwanathan R. Design, synthesis and characterization of α, β-unsaturated carboxylic acid and its urea based derivatives that explores novel epigenetic modulators in human non-small cell lung cancer A549 cell line. J Cell Physiol. 2017 Dec 7. doi: 10.1002/jcp.26333. [Epub ahead of print] PubMed PMID: 29215703. 12: Takamura T, Horinaka M, Yasuda S, Toriyama S, Aono Y, Sowa Y, Miki T, Ukimura O, Sakai T. FGFR inhibitor BGJ398 and HDAC inhibitor OBP-801 synergistically inhibit cell growth and induce apoptosis in bladder cancer cells. Oncol Rep. 2018 Feb;39(2):627-632. doi: 10.3892/or.2017.6127. Epub 2017 Dec 1. PubMed PMID: 29207153. 13: Xie R, Li Y, Tang P, Yuan Q. Design, synthesis and biological evaluation of novel 2-aminobenzamides containing dithiocarbamate moiety as histone deacetylase inhibitors and potent antitumor agents. Eur J Med Chem. 2018 Jan 1;143:320-333. doi: 10.1016/j.ejmech.2017.08.041. Epub 2017 Aug 22. PubMed PMID: 29202397. 14: Ganai SA, Abdullah E, Rashid R, Altaf M. Combinatorial In Silico Strategy towards Identifying Potential Hotspots during Inhibition of Structurally Identical HDAC1 and HDAC2 Enzymes for Effective Chemotherapy against Neurological Disorders. Front Mol Neurosci. 2017 Nov 9;10:357. doi: 10.3389/fnmol.2017.00357. eCollection 2017. PubMed PMID: 29170627; PubMed Central PMCID: PMC5684606. 15: Liu TP, Hong YH, Yang PM. In silico and in vitro identification of inhibitory activities of sorafenib on histone deacetylases in hepatocellular carcinoma cells. Oncotarget. 2017 Sep 16;8(49):86168-86180. doi: 10.18632/oncotarget.21030. eCollection 2017 Oct 17. PubMed PMID: 29156785; PubMed Central PMCID: PMC5689675. 16: Bian X, Liang Z, Feng A, Salgado E, Shim H. HDAC inhibitor suppresses proliferation and invasion of breast cancer cells through regulation of miR-200c targeting CRKL. Biochem Pharmacol. 2018 Jan;147:30-37. doi: 10.1016/j.bcp.2017.11.008. Epub 2017 Dec 1. PubMed PMID: 29155146; PubMed Central PMCID: PMC5733635. 17: Soflaei SS, Momtazi AA, Majeed M, Derosa G, Maffioli P, Sahebkar A. Curcumin: a natural pan-HDAC inhibitor in cancer. Curr Pharm Des. 2017 Nov 14. doi: 10.2174/1381612823666171114165051. [Epub ahead of print] PubMed PMID: 29141538. 18: Booth L, Roberts JL, Poklepovic A, Kirkwood J, Dent P. HDAC inhibitors enhance the immunotherapy response of melanoma cells. Oncotarget. 2017 May 17;8(47):83155-83170. doi: 10.18632/oncotarget.17950. eCollection 2017 Oct 10. PubMed PMID: 29137331; PubMed Central PMCID: PMC5669957. 19: Tarasenko N, Chekroun-Setti H, Nudelman A, Rephaeli A. Comparison of the anticancer properties of a novel valproic acid prodrug to leading histone deacetylase inhibitors. J Cell Biochem. 2017 Nov 14. doi: 10.1002/jcb.26512. [Epub ahead of print] PubMed PMID: 29135083. 20: Poli G, Di Fabio R, Ferrante L, Summa V, Botta M. Largazole Analogues as Histone Deacetylase Inhibitors and Anticancer Agents: An Overview of Structure-Activity Relationships. ChemMedChem. 2017 Dec 7;12(23):1917-1926. doi: 10.1002/cmdc.201700563. Epub 2017 Nov 17. Review. PubMed PMID: 29117473.