ICI 198615 is a novel and potent peptide leukotriene antagonist

Physicochemical Properties

Molecular Formula	C28H28N4O6S
Molecular Weight	548.61
Exact Mass	548.173
Elemental Analysis	C, 61.30; H, 5.14; N, 10.21; O, 17.50; S, 5.84
CAS #	104448-53-5
PubChem CID	115219
Appearance	Typically exists as solid at room temperature
Density	1.39g/cm3
Index of Refraction	1.667
LogP	6.372
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	39
Complexity	946
Defined Atom Stereocenter Count	0
SMILES	COC1=CC(C(NS(C2=CC=CC=C2)(=O)=O)=O)=CC=C1CN1N=CC2=CC=C(C=C12)NC(OC1CCCC1)=O
InChi Key	YRCPIXCRSAKRGM-UHFFFAOYSA-N
InChi Code	InChI=1S/C28H28N4O6S/c1-37-26-15-19(27(33)31-39(35,36)24-9-3-2-4-10-24)11-12-21(26)18-32-25-16-22(14-13-20(25)17-29-32)30-28(34)38-23-7-5-6-8-23/h2-4,9-17,23H,5-8,18H2,1H3,(H,30,34)(H,31,33)
Chemical Name	cyclopentyl N-[1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indazol-6-yl]carbamate
Synonyms	ICI198615; ICI-198615; Ici 198,615; 104448-53-5; ICI-198,615; (1-((2-Methoxy-4-(((phenylsulfonyl)amino)carbonyl)phenyl)methyl)-1H-indazol-6-yl)carbamic acid cyclopentyl ester; Ici-198,615; ZM-198,615; ICI198,615; ICI 198615
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

Targets	ICI 198615 is a selective leukotriene (LT) receptor antagonist, specifically blocking the vasopressor responses of LTC4, LTD4, and LTE4 in rats.
ln Vivo	ICI 198615 is a selective leukotriene (LT) receptor antagonist, specifically blocking the vasopressor responses of LTC4, LTD4, and LTE4 in rats.
Animal Protocol	Dogs: Anesthetized adult dogs were used to study bronchoconstriction induced by ET-1 (endothelin-1). ICI 198615 was administered (route and dose not specified in abstract), and airway resistance was measured. Indomethacin (a COX inhibitor) was used as a comparator. [1] Rats: Conscious, chronically catheterized rats received LTC4, LTD4, or LTE4 intravenously to induce pressor responses. ICI 198615 (0.01–1 mg/kg, IV) was given before leukotriene challenge to assess blockade of vasopressor effects. Angiotensin II and noradrenaline were used as controls to confirm selectivity. [2]
References	[1]. ET-1 induced bronchoconstriction in the early phase but not late phase of anesthetized dogs is inhibited by indomethacin and ICI 198615. Biochem Biophys Res Commun. 1992 Mar 31;183(3):1197-202. [2]. ICI 198615 is an antagonist of leukotriene C4, leukotriene D4 and leukotriene E4 vasopressor responses in the conscious rat. Pharmacology. 1990;41(2):57-66.
Additional Infomation	ICI 198615 is a leukotriene receptor antagonist with potential applications in diseases involving leukotriene-mediated bronchoconstriction and vasoconstriction. Its effects in dogs suggest a possible interaction with prostaglandin pathways, while its selective blockade of leukotrienes in rats highlights its specificity. [1][2]

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	1.8228 mL	9.1139 mL	18.2279 mL
	5 mM	0.3646 mL	1.8228 mL	3.6456 mL
	10 mM	0.1823 mL	0.9114 mL	1.8228 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.