LY288513, a selective non-peptide CCK-B receptor blocker (antagonist), has IC50 of 16 nM. LY288513 produces anxiolytic (anti-anxiety) effects in mice.

Physicochemical Properties

Molecular Formula	C22H18BRN3O2
Molecular Weight	436.31
Exact Mass	435.058
CAS #	147523-65-7
PubChem CID	2802894
Appearance	Typically exists as solid at room temperature
Density	1.476g/cm3
Index of Refraction	1.676
LogP	5.192
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	28
Complexity	552
Defined Atom Stereocenter Count	2
SMILES	BrC1C=CC(=CC=1)N([H])C(N1[C@@H](C2C=CC=CC=2)[C@H](C2C=CC=CC=2)C(N1[H])=O)=O
InChi Key	LMUQHXHWJWQXSD-PMACEKPBSA-N
InChi Code	InChI=1S/C22H18BrN3O2/c23-17-11-13-18(14-12-17)24-22(28)26-20(16-9-5-2-6-10-16)19(21(27)25-26)15-7-3-1-4-8-15/h1-14,19-20H,(H,24,28)(H,25,27)/t19-,20-/m0/s1
Chemical Name	(4S,5R)-N-(4-bromophenyl)-3-oxo-4,5-diphenylpyrazolidine-1-carboxamide
Synonyms	LY288513 LY 288513 LY-288513
HS Tariff Code	2934.99.9001
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)

Biological Activity

ln Vitro	The effects of CCK-8 on transcription factors unique to CD4+ T cell subsets are inhibited by LY288513 (10 nM; 2 days) [2].
ln Vivo	In mice, LY288513 (3, 10 mg/kg intraperitoneal injection; 10, 30 mg/kg oral) has effects similar to those of anxiolytics [3]. At the largest dosage studied, LY288513 (1000 mg/kg, oral) only causes mild hypothermia, amplifies the effects of CNS depressants, and is only mildly sedative [3].
Cell Assay	RT-PCR[2] Cell Types: CD4+ T cells Tested Concentrations: 10 nM Incubation Duration: 2 days Experimental Results: Effect of inhibition of CCK-8 on CD4+ T cell subset-specific transcription factors.
Animal Protocol	Animal/Disease Models: Male CD-1 mice [3] Doses: 3, 10 mg/kg; 10, 30 mg/kg Route of Administration: intraperitoneal (ip) injection; po Experimental Results: demonstrated anxiolytic-like effects in the elevated plus maze.
References	[1]. Rasmussen K. CCK, schizophrenia, and anxiety. CCK-B antagonists inhibit the activity of brain dopamine neurons. Ann N Y Acad Sci. 1994 Mar 23;713:300-11. [2]. Cholecystokinin octapeptide regulates the differentiation and effector cytokine production of CD4(+) T cells in vitro. Int Immunopharmacol. 2014;20(2):307-315. [3]. Central nervous system characterization of the new cholecystokininB antagonist LY288513. Pharmacol Biochem Behav. 1996 Mar;53(3):493-502.
Additional Infomation	(4S,5R)-N-(4-bromophenyl)-3-oxo-4,5-diphenyl-1-pyrazolidinecarboxamide is a stilbenoid. See also: ... View More ...

Solubility Data

Solubility (In Vitro)

May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.2919 mL	11.4597 mL	22.9195 mL
	5 mM	0.4584 mL	2.2919 mL	4.5839 mL
	10 mM	0.2292 mL	1.1460 mL	2.2919 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.