CYM 50769Novel non-peptide NPBWR1 antagonist CAS# 1421365-63-0 |
- Ascomycin(FK 520)
Catalog No.:BCC1370
CAS No.:104987-12-4
- Dexamethasone acetate
Catalog No.:BCC4775
CAS No.:1177-87-3
- Azathioprine
Catalog No.:BCC4762
CAS No.:446-86-6
- Cyclosporin A
Catalog No.:BCC4773
CAS No.:59865-13-3
Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
Cas No. | 1421365-63-0 | SDF | Download SDF |
PubChem ID | 50904505 | Appearance | Powder |
Formula | C24H17ClN2O3 | M.Wt | 416.86 |
Type of Compound | N/A | Storage | Desiccate at -20°C |
Synonyms | ML250 | ||
Solubility | Soluble to 100 mM in DMSO | ||
Chemical Name | 5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3-one | ||
SMILES | COC1=CC=C(C=C1)OC2=C(C=NN(C2=O)C3C4=CC=CC=C4C5=CC=CC=C35)Cl | ||
Standard InChIKey | QHVSQUYCVUHYKT-UHFFFAOYSA-N | ||
Standard InChI | InChI=1S/C24H17ClN2O3/c1-29-15-10-12-16(13-11-15)30-23-21(25)14-26-27(24(23)28)22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-14,22H,1H3 | ||
General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
||
About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
||
Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. |
Description | Novel non-peptide antagonist of neuropeptide W/B receptor 1 (NPBWR1, GPR7) (IC50 = 0.12 μM). |
CYM 50769 Dilution Calculator
CYM 50769 Molarity Calculator
1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
1 mM | 2.3989 mL | 11.9944 mL | 23.9889 mL | 47.9777 mL | 59.9722 mL |
5 mM | 0.4798 mL | 2.3989 mL | 4.7978 mL | 9.5955 mL | 11.9944 mL |
10 mM | 0.2399 mL | 1.1994 mL | 2.3989 mL | 4.7978 mL | 5.9972 mL |
50 mM | 0.048 mL | 0.2399 mL | 0.4798 mL | 0.9596 mL | 1.1994 mL |
100 mM | 0.024 mL | 0.1199 mL | 0.2399 mL | 0.4798 mL | 0.5997 mL |
* Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. |
Calcutta University
University of Minnesota
University of Maryland School of Medicine
University of Illinois at Chicago
The Ohio State University
University of Zurich
Harvard University
Colorado State University
Auburn University
Yale University
Worcester Polytechnic Institute
Washington State University
Stanford University
University of Leipzig
Universidade da Beira Interior
The Institute of Cancer Research
Heidelberg University
University of Amsterdam
University of Auckland
TsingHua University
The University of Michigan
Miami University
DRURY University
Jilin University
Fudan University
Wuhan University
Sun Yat-sen University
Universite de Paris
Deemed University
Auckland University
The University of Tokyo
Korea University
- (+)-Ketoconazole
Catalog No.:BCC4249
CAS No.:142128-59-4
- WS6
Catalog No.:BCC5566
CAS No.:1421227-53-3
- WS 3
Catalog No.:BCC7519
CAS No.:1421227-52-2
- Isosalvianolic acid C
Catalog No.:BCN3476
CAS No.:142115-17-1
- BIM 189
Catalog No.:BCC5934
CAS No.:142062-55-3
- Caproic acid
Catalog No.:BCC9218
CAS No.:142-62-1
- NVP-TNKS656
Catalog No.:BCC6541
CAS No.:1419949-20-4
- NSC 625987
Catalog No.:BCC7269
CAS No.:141992-47-4
- Methyl 4-Hydroxyphenylacetate
Catalog No.:BCN1571
CAS No.:14199-15-6
- Emetine Hydrochloride
Catalog No.:BCN2478
CAS No.:14198-59-5
- 16-Hydroxycleroda-3,13-dien-15,16-olide
Catalog No.:BCN7500
CAS No.:141979-19-3
- 14-Deoxy-11,12-didehydroandrographiside
Catalog No.:BCN1572
CAS No.:141973-41-3
- Mutated EGFR-IN-1
Catalog No.:BCC5444
CAS No.:1421372-66-8
- Mutant EGFR inhibitor
Catalog No.:BCC4119
CAS No.:1421373-62-7
- AZD-9291
Catalog No.:BCC4120
CAS No.:1421373-65-0
- AZD-9291 mesylate
Catalog No.:BCC4121
CAS No.:1421373-66-1
- AZ5104
Catalog No.:BCC6389
CAS No.:1421373-98-9
- LY3039478
Catalog No.:BCC2105
CAS No.:1421438-81-4
- Sweroside
Catalog No.:BCN6219
CAS No.:14215-86-2
- Hederacoside C
Catalog No.:BCN2329
CAS No.:14216-03-6
- GZD824
Catalog No.:BCC4389
CAS No.:1421783-64-3
- KPT-276
Catalog No.:BCC4445
CAS No.:1421919-75-6
- Taxumairol B
Catalog No.:BCN6940
CAS No.:142203-64-3
- 9-Dihydro-13-acetylbaccatin III
Catalog No.:BCC1315
CAS No.:142203-65-4
The S1P1 receptor-selective agonist CYM-5442 reduces the severity of acute GVHD by inhibiting macrophage recruitment.[Pubmed:25088224]
Cell Mol Immunol. 2015 Nov;12(6):681-91.
FTY720, an agonist for four of the five known sphingosine-1-phosphate (S1P) receptors, has been reported to inhibit acute graft-versus-host disease (aGVHD). Because FTY720 functions through multiple S1P receptors, the mechanism of action through one or more of these receptors may account for its side effects. Thus, more selective S1P receptor modulators are needed to evaluate the roles of different S1P receptors and their therapeutic efficacies. In this study, we investigated the effect of an S1P1-selective agonist, CYM-5442, on the progression of aGVHD. We showed that CYM-5442 significantly inhibited but did not prevent aGVHD. CYM-5442 did not affect the infiltration of the donor T cells into the target organs, while the number of macrophages in GVHD organs was significantly reduced by CYM-5442 treatment. In vivo proliferation assays showed that the proliferation of macrophages was not suppressed by CYM-5442. Further studies using human endothelial cells demonstrated that CYM-5442 treatment downregulated CCL2 and CCL7 expression in endothelial cells, therefore reducing the migration of monocytes, from which tissue macrophages originate. Our data demonstrate the therapeutic efficacy of an S1P1-selective agonist in aGVHD and its possible mechanism of action. The results suggest that further investigations are needed regarding CYM-5442 as a potential therapeutic regimen for aGVHD.
Dinuclear [{(p-cym)RuCl}2(mu-phpy)](PF6)2 and heterodinuclear [(ppy)2Ir(mu-phpy)Ru(p-cym)Cl](PF6)2 complexes: synthesis, structure and anticancer activity.[Pubmed:25160655]
Dalton Trans. 2014 Oct 21;43(39):14546-9.
Phpy bridged homodinuclear Ru-Ru () and heterodinuclear Ir-Ru complexes () have been developed. Complex induces autophagy towards the cisplatin resistant human breast cancer (MCF7) cell line, whereas is inactive.
A dinuclear [{(p-cym)Ru(II)Cl}2(mu-bpytz (-))](+) complex bridged by a radical anion: synthesis, spectroelectrochemical, EPR and theoretical investigation (bpytz = 3,6-bis(3,5-dimethylpyrazolyl)1,2,4,5-tetrazine; p-cym = p-cymene).[Pubmed:27435992]
Dalton Trans. 2016 Aug 2;45(31):12532-8.
The reaction of the chloro-bridged dimeric precursor [{(p-cym)Ru(II)Cl}(mu-Cl)]2 (p-cym = p-cymene) with the bridging ligand 3,6-bis(3,5-dimethylpyrazolyl)-1,2,4,5-tetrazine (bpytz) in ethanol results in the formation of the dinuclear complex [{(p-cym)Ru(II)Cl}2(mu-bpytz (-))](+), [1](+). The bridging tetrazine ligand is reduced to the anion radical (bpytz (-)) which connects the two Ru(II) centres. Compound [1](PF6) has been characterised by an array of spectroscopic and electrochemical techniques. The radical anion character has been confirmed by magnetic moment (corresponding to one electron paramagnetism) measurement, EPR spectroscopic investigation (tetrazine radical anion based EPR spectrum) as well as density functional theory based calculations. Complex [1](+) displays two successive one electron oxidation processes at 0.66 and 1.56 V versus Ag/AgCl which can be attributed to [{(p-cym)Ru(II)C}2(mu-bpytz (-))](+)/[{(p-cym)Ru(II)Cl}2(mu-bpytz)](2+) and [{(p-cym)Ru(II)Cl}2(mu-bpytz)](+)/[{(p-cym)Ru(III)Cl}2(mu-bpytz)](2+) processes (couples I and II), respectively. The reduction processes (couple III-couple V), which are irreversible, likely involve the successive reduction of the bridging ligand and the metal centres together with loss of the coordinated chloride ligands. UV-Vis-NIR spectroelectrochemical investigation reveals typical tetrazine radical anion containing bands for [1](+) and a strong absorption in the visible region for the oxidized form [1](2+), which can be assigned to a Ru(II) --> pi* (tetrazine) MLCT transition. The assignment of spectroscopic bands was confirmed by theoretical calculations.
Synthesis, characterisation and antibacterial activity of [(p-cym)RuX(L)](+/2+) (X = Cl, H2O; L = bpmo, bpms) complexes.[Pubmed:25675378]
Dalton Trans. 2015 Mar 21;44(11):5114-24.
Mononuclear half-sandwiched complexes [(p-cym)RuCl(bpmo)](ClO4) {[1](ClO4)} and [(p-cym)RuCl(bpms)](PF6) {[2](PF6)} have been prepared by reacting heteroscorpionate ligands bpmo = 2-methoxyphenyl-bis(3,5-dimethylpyrazol-1-yl)methane and bpms = 2-methylthiophenyl-bis(3,5-dimethylpyrazol-1-yl)methane, respectively, with a dimeric precursor complex [(p-cym)RuCl(mu-Cl)]2 (p-cym = 1-isopropyl-4-methylbenzene) in methanol. The corresponding aqua derivatives [(p-cym)Ru(H2O)(bpmo)](ClO4)2 {[3](ClO4)2} and [(p-cym)Ru(H2O)(bpms)](PF6)2 {[4](PF6)2} are obtained from {[1](ClO4)} and {[2](PF6)}, respectively, via Cl(-)/H2O exchange process in the presence of appropriate equivalents of AgClO4/AgNO3 + KPF6 in a methanol-water mixture. The molecular structures of the complexes {[1]Cl, [3](ClO4)2 and [4](PF6)(NO3)} are authenticated by their single crystal X-ray structures. The complexes show the expected piano-stool geometry with p-cym in the eta(6) binding mode. The aqua complexes [3](ClO4)2 and [4](PF6)2 show significantly good antibacterial activity towards E. coli (gram negative) and B. subtilis (gram positive) strains, while chloro derivatives ({[1](ClO4)} and {[2](PF6)} are found to be virtually inactive. The order of antibacterial activity of the complexes according to their MIC values is [1](ClO4) (both 1000 mug mL(-1)) < [2](PF6) (580 mug mL(-1) and 750 mug mL(-1)) < [3](ClO4)2 (both 100 mug mL(-1)) < [4](PF6)2 (30 mug mL(-1) and 60 mug mL(-1)) for E. coli and B. subtilis strains, respectively. Further, the aqua complexes [3](ClO4)2 and [4](PF6)2 show clear zones of inhibition against kanamycin, ampicillin and chloramphenicol resistant E. coli strains. The detailed mechanistic aspects of the aforesaid active aqua complexes [3](ClO4)2 and [4](PF6)2 have been explored, and it reveals that both the complexes inhibit the number of nucleoids per cell in vivo and bind to DNA in vitro. The results indeed demonstrate that both [3](ClO4)2 and [4](PF6)2 facilitate the inhibition of bacterial growth by binding to DNA.
SAR analysis of novel non-peptidic NPBWR1 (GPR7) antagonists.[Pubmed:23287738]
Bioorg Med Chem Lett. 2013 Feb 1;23(3):614-9.
In this Letter we report on the advances in our NPBWR1 antagonist program aimed at optimizing the 5-chloro-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3(2H)-one lead molecule previously obtained from a high-throughput screening (HTS)-derived hit. Synthesis and structure-activity relationships (SAR) studies around the 3,5-dimethylphenyl and 4-methoxyphenyl regions resulted in the identification of a novel series of non-peptidic submicromolar NPBWR1 antagonists based on a 5-chloro-4-(4-alkoxyphenoxy)-2-(benzyl)pyridazin-3(2H)-one chemotype. Amongst them, 5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3(2H)-one 9h (CYM50769) inhibited NPW activation of NPBWR1 with a submicromolar IC(50), and displayed high selectivity against a broad array of off-targets with pharmaceutical relevance. Our medicinal chemistry study provides innovative non-peptidic selective NPBWR1 antagonists that may enable to clarify the biological role and therapeutic utility of the target receptor in the regulation of feeding behavior, pain, stress, and neuroendocrine function.