MedKoo Cat#: 406819 | Name: ZLD1039

Description:

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

ZLD1039 is a potent, highly selective, and orally bioavailable small molecule inhibitor of EZH2, which inhibited breast tumor growth and metastasis. ZLD1039 considerably inhibited EZH2 methyltransferase activity with nanomolar potency, decreased global histone-3 lysine-27 (H3K27) methylation, and reactivated silenced tumor suppressors connected to increased survival of patients with breast cancer. Comparable to conditional silencing of EZH2, its inhibition by ZLD1039 decreased cell proliferation, cell cycle arrest, and induced apoptosis. ZLD1039 is a promising treatment for breast cancer.

Chemical Structure

ZLD1039
ZLD1039
CAS#1826865-46-6

Theoretical Analysis

MedKoo Cat#: 406819

Name: ZLD1039

CAS#: 1826865-46-6

Chemical Formula: C36H48N6O3

Exact Mass: 612.3788

Molecular Weight: 612.82

Elemental Analysis: C, 70.56; H, 7.90; N, 13.71; O, 7.83

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Synonym
ZLD1039; ZLD-1039; ZLD 1039.
IUPAC/Chemical Name
3-[Ethyl(tetrahydro-2H-pyran-4-yl)amino]-N-[(2,3,5,6,7,8-hexahydro-1-methyl-3-oxo-4-isoquinolinyl)methyl]-2-methyl-5-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-benzamide
InChi Key
SZAYCVHJDOWSNY-UHFFFAOYSA-N
InChi Code
InChI=1S/C36H48N6O3/c1-5-42(28-12-18-45-19-13-28)33-21-27(26-10-11-34(37-22-26)41-16-14-40(4)15-17-41)20-31(24(33)2)35(43)38-23-32-30-9-7-6-8-29(30)25(3)39-36(32)44/h10-11,20-22,28H,5-9,12-19,23H2,1-4H3,(H,38,43)(H,39,44)
SMILES Code
O=C(NCC1=C2CCCCC2=C(C)NC1=O)C3=CC(C4=CC=C(N5CCN(C)CC5)N=C4)=CC(N(CC)C6CCOCC6)=C3C
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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 612.82 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: Song X, Gao T, Wang N, Feng Q, You X, Ye T, Lei Q, Zhu Y, Xiong M, Xia Y, Yang F, Shi Y, Wei Y, Zhang L, Yu L. Corrigendum: Selective inhibition of EZH2 by ZLD1039 blocks H3K27methylation and leads to potent anti-tumor activity in breast cancer. Sci Rep. 2016 Apr 29;6:24893. doi: 10.1038/srep24893. PubMed PMID: 27128979; PubMed Central PMCID: PMC4850860. 2: Song X, Gao T, Wang N, Feng Q, You X, Ye T, Lei Q, Zhu Y, Xiong M, Xia Y, Yang F, Shi Y, Wei Y, Zhang L, Yu L. Selective inhibition of EZH2 by ZLD1039 blocks H3K27 methylation and leads to potent anti-tumor activity in breast cancer. Sci Rep. 2016 Feb 12;6:20864. doi: 10.1038/srep20864. PubMed PMID: 26868841; PubMed Central PMCID: PMC4751454.