AZD-5153 HNT salt | 1869912-40-2 | 1869912-39-9 | BRD4 Inhibitor

AZD-5153 HNT salt
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 407809

CAS#: 1869912-40-2 (HNT salt)

Description: AZD-5153 HNT salt, is a 6-hydroxy-2-naphthoic acid salt of AZD-5153. AZD 5153 a potetn and selective orally available, bivalent inhibitor of the bromodomain and extraterminal (BET) protein BRD4 (IC50 = 5 nM). AZD5153 is highly Active against Hematologic Malignancies.

Chemical Structure

AZD-5153 HNT salt

CAS# 1869912-40-2 (HNT salt)

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 407809
Name: AZD-5153 HNT salt
CAS#: 1869912-40-2 (HNT salt)
Chemical Formula: C36H41N7O6
Exact Mass: 0.00
Molecular Weight: 667.767
Elemental Analysis: C, 64.75; H, 6.19; N, 14.68; O, 14.38

Price and Availability

Size	Price	Availability
50mg	USD 950	2 Weeks
100mg	USD 1650
200mg	USD 2950	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: AZD-5153; AZD5153; AZD 5153; AZD-5153 6-hydroxy-2-naphthoate. AZD-5153 HNT salt.

IUPAC/Chemical Name: (R)-4-(2-(4-(1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl)phenoxy)ethyl)-1,3-dimethylpiperazin-2-one 6-hydroxy-2-naphthoate

InChi Key: UNZQBHXKCHECEC-GMUIIQOCSA-N

InChi Code: InChI=1S/C25H33N7O3.C11H8O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23;12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h4-9,18,20H,10-17H2,1-3H3;1-6,12H,(H,13,14)/t18-;/m1./s1

SMILES Code: O=C1N(C)CCN(CCOC2=CC=C(C3CCN(C4=NN5C(C=C4)=NN=C5OC)CC3)C=C2)[C@@H]1C.O=C(O)C6=CC=C7C=C(O)C=CC7=C6

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

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Product Data:

Product Data

Instruction:

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Biological target:	AZD5153 is a potent, selective, and orally available BET/BRD4 bromodomain inhibitor; disrupts BRD4 with an IC50 of 1.7 nM.
In vitro activity:	M2-like macrophage markers were significantly abrogated by AZD5153, along with those cytokines involved in immune tolerance and immune evasion, such as IL-6, IL-10, and TGF-β. The similar results occurred when it came to murine bone marrow-derived macrophages (Supplementary Figure 3C). On the other hand, iNOS, an M1 marker associated with the activated immune response of macrophages, was clearly upregulated by AZD5153. IL-12 and its family member IL-23 were also consistently and significantly increased by AZD5153 (Figure 2A). Reference: Front Immunol. 2020; 11: 89. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7058627/
In vivo activity:	As shown in Fig. 7A and B and Supplementary Fig. S9, mice injected with Mus81 knockdown cells had reduced number of lung metastasis nodes than the control group (P < 0.05). Similarly, AZD5153 treatment significantly inhibited lung metastasis compared with the control group (P < 0.05). However, AZD5153 had limited effect in the Mus81-depleted SGC7901 cells' group. H&E staining showed the pathology of lung metastasis, which confirmed that the lumps in the lung of the nude mice was formed by gastric cancer cells. IHC staining showed that AZD5153 inhibited the expression of Mus81 and ZEB1 in gastric cancer cells (Fig. 7C). Therefore, AZD5153 negatively regulated the metastasis-promoting effect of Msu81 in vivo. Reference: Mol Cancer Ther. 2019 Aug;18(8):1439-1450. https://pubmed.ncbi.nlm.nih.gov/31142662/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMSO	67.0	200.67
	Ethanol	27.0	40.43

Preparing Stock Solutions

The following data is based on the product molecular weight 667.77 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

Formulation protocol:	1. Li X, Fu Y, Yang B, Guo E, Wu Y, Huang J, Zhang X, Xiao R, Li K, Wang B, Hu J, Sun C, Chen G. BRD4 Inhibition by AZD5153 Promotes Antitumor Immunity via Depolarizing M2 Macrophages. Front Immunol. 2020 Feb 28;11:89. doi: 10.3389/fimmu.2020.00089. PMID: 32184777; PMCID: PMC7058627. 2. Shen G, Chen J, Zhou Y, Wang Z, Ma Z, Xu C, Jiang M. AZD5153 Inhibits Prostate Cancer Cell Growth in Vitro and in Vivo. Cell Physiol Biochem. 2018;50(2):798-809. doi: 10.1159/000494244. Epub 2018 Oct 11. PMID: 30308485. 3. Zhang P, Li R, Xiao H, Liu W, Zeng X, Xie G, Yang W, Shi L, Yin Y, Tao K. BRD4 Inhibitor AZD5153 Suppresses the Proliferation of Colorectal Cancer Cells and Sensitizes the Anticancer Effect of PARP Inhibitor. Int J Biol Sci. 2019 Jul 21;15(9):1942-1954. doi: 10.7150/ijbs.34162. PMID: 31523195; PMCID: PMC6743290. 4. Yin Y, Liu W, Shen Q, Zhang P, Wang L, Tao R, Li H, Ma X, Zeng X, Cheong JH, Song S, Ajani JA, Mills GB, Tao K, Peng G. The DNA Endonuclease Mus81 Regulates ZEB1 Expression and Serves as a Target of BET4 Inhibitors in Gastric Cancer. Mol Cancer Ther. 2019 Aug;18(8):1439-1450. doi: 10.1158/1535-7163.MCT-18-0833. Epub 2019 May 29. PMID: 31142662.
In vitro protocol:	1. Li X, Fu Y, Yang B, Guo E, Wu Y, Huang J, Zhang X, Xiao R, Li K, Wang B, Hu J, Sun C, Chen G. BRD4 Inhibition by AZD5153 Promotes Antitumor Immunity via Depolarizing M2 Macrophages. Front Immunol. 2020 Feb 28;11:89. doi: 10.3389/fimmu.2020.00089. PMID: 32184777; PMCID: PMC7058627. 2. Shen G, Chen J, Zhou Y, Wang Z, Ma Z, Xu C, Jiang M. AZD5153 Inhibits Prostate Cancer Cell Growth in Vitro and in Vivo. Cell Physiol Biochem. 2018;50(2):798-809. doi: 10.1159/000494244. Epub 2018 Oct 11. PMID: 30308485.
In vivo protocol:	1. Zhang P, Li R, Xiao H, Liu W, Zeng X, Xie G, Yang W, Shi L, Yin Y, Tao K. BRD4 Inhibitor AZD5153 Suppresses the Proliferation of Colorectal Cancer Cells and Sensitizes the Anticancer Effect of PARP Inhibitor. Int J Biol Sci. 2019 Jul 21;15(9):1942-1954. doi: 10.7150/ijbs.34162. PMID: 31523195; PMCID: PMC6743290. 2. Yin Y, Liu W, Shen Q, Zhang P, Wang L, Tao R, Li H, Ma X, Zeng X, Cheong JH, Song S, Ajani JA, Mills GB, Tao K, Peng G. The DNA Endonuclease Mus81 Regulates ZEB1 Expression and Serves as a Target of BET4 Inhibitors in Gastric Cancer. Mol Cancer Ther. 2019 Aug;18(8):1439-1450. doi: 10.1158/1535-7163.MCT-18-0833. Epub 2019 May 29. PMID: 31142662.

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1: Collins TA, Hattersley MM, Yates J, Clark E, Mondal M, Mettetal JT. Translational Modeling of Drug-Induced Myelosuppression and Effect of Pretreatment Myelosuppression for AZD5153, a Selective BRD4 Inhibitor. CPT Pharmacometrics Syst Pharmacol. 2017 Jun;6(6):357-364. doi: 10.1002/psp4.12194. Epub 2017 May 27. PubMed PMID: 28378926; PubMed Central PMCID: PMC5488126.

2: Yeh TC, O'Connor G, Petteruti P, Dulak A, Hattersley M, Barrett JC, Chen H. Identification of CCR2 and CD180 as Robust Pharmacodynamic Tumor and Blood Biomarkers for Clinical Use with BRD4/BET Inhibitors. Clin Cancer Res. 2017 Feb 15;23(4):1025-1035. doi: 10.1158/1078-0432.CCR-16-1658. Epub 2017 Jan 10. PubMed PMID: 28073847.

3: Rhyasen GW, Hattersley MM, Yao Y, Dulak A, Wang W, Petteruti P, Dale IL, Boiko S, Cheung T, Zhang J, Wen S, Castriotta L, Lawson D, Collins M, Bao L, Ahdesmaki MJ, Walker G, O'Connor G, Yeh TC, Rabow AA, Dry JR, Reimer C, Lyne P, Mills GB, Fawell SE, Waring MJ, Zinda M, Clark E, Chen H. AZD5153: A Novel Bivalent BET Bromodomain Inhibitor Highly Active against Hematologic Malignancies. Mol Cancer Ther. 2016 Nov;15(11):2563-2574. Epub 2016 Aug 29. PubMed PMID: 27573426.

4: Bradbury RH, Callis R, Carr GR, Chen H, Clark E, Feron L, Glossop S, Graham MA, Hattersley M, Jones C, Lamont SG, Ouvry G, Patel A, Patel J, Rabow AA, Roberts CA, Stokes S, Stratton N, Walker GE, Ward L, Whalley D, Whittaker D, Wrigley G, Waring MJ. Optimization of a Series of Bivalent Triazolopyridazine Based Bromodomain and Extraterminal Inhibitors: The Discovery of (3R)-4-[2-[4-[1-(3-Methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phen oxy]ethyl]-1,3-dimethyl-piperazin-2-one (AZD5153). J Med Chem. 2016 Sep 8;59(17):7801-17. doi: 10.1021/acs.jmedchem.6b00070. Epub 2016 Aug 24. PubMed PMID: 27528113.

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