HAMI 3379 is a potent coupled CysLT2 receptor blocker. HAMI 3379 has protective effects against acute and subacute brain injury and enhances astrocyte-related factors.

Physicochemical Properties

Molecular Formula	C34H45NO8
Molecular Weight	595.733
Exact Mass	595.314
CAS #	1245653-57-9
Related CAS #	(Rac)-HAMI 3379;712313-35-4
PubChem CID	91523600
Appearance	White to off-white solid powder
LogP	6.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	16
Heavy Atom Count	43
Complexity	853
Defined Atom Stereocenter Count	2
SMILES	O(CCCCOC1C=CC(=CC=1)CCCOC1=CC=C(C(=O)O)C=C1C(N[C@@H]1CCC[C@@H](C(=O)O)C1)=O)C1CCCCC1
InChi Key	HRJWSEPIRZRGCL-BDYUSTAISA-N
InChi Code	InChI=1S/C34H45NO8/c36-32(35-27-10-6-9-25(22-27)33(37)38)30-23-26(34(39)40)15-18-31(30)43-21-7-8-24-13-16-29(17-14-24)42-20-5-4-19-41-28-11-2-1-3-12-28/h13-18,23,25,27-28H,1-12,19-22H2,(H,35,36)(H,37,38)(H,39,40)/t25-,27-/m0/s1
Chemical Name	3-[[(1S,3S)-3-carboxycyclohexyl]carbamoyl]-4-[3-[4-(4-cyclohexyloxybutoxy)phenyl]propoxy]benzoic acid
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	With IC50 values of 3.8 nM and 4.4 nM, respectively, HAMI3379 inhibited leukotriene D4- (LTD4-) and leukotriene C4- (LTC4-)-induced intracellular calcium mobilization in the CysLT2 receptor reporter cell line. HAMI3379's efficacy against recombinant CysLT1 receptor cell lines is extremely poor (IC50>10000 nM). There is no agonistic activity shown by HAMI3379 on either CysLT receptor cell line [1].
ln Vivo	HAMI 3379 (0.025-0.4 mg/kg; i.p.) 0.1-0.4 mg/kg considerably lowers the percentage rise in infarct volume and ischemic/contralateral hemisphere ratio [2]. HAMI3379 (0.1 mg/kg; intraperitoneal injection) administered at 0 and 1 hour after reperfusion reduced infarct volume, reduced cerebral edema, decreased neurological scores, and increased grip angle [2].
Animal Protocol	Animal/Disease Models: Male SD (SD (Sprague-Dawley)) rats (250-300 g) after MCAO [2] Doses: 0.025, 0.05, 0.1, 0.2, 0.4 mg/kg Route of Administration: intraperitoneal (ip) injection Experimental Results: Significant reduction in infarct volume and The ischemic/contralateral infarct area percentage increase hemispheric ratio (brain edema index) is 0.1-0.4 mg/kg. Dramatically diminished neurological deficit scores.
References	[1]. Pharmacological characterization of the first potent and selective antagonist at the cysteinyl leukotriene 2 (CysLT(2)) receptor. Br J Pharmacol. 2010 May;160(2):399-409. [2]. HAMI 3379, a CysLT2R antagonist, dose- and time-dependently attenuates brain injury and inhibits microglial inflammation after focal cerebral ischemia in rats. Neuroscience. 2015 Apr 16;291:53-69.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~167.86 mM)

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	1.6786 mL	8.3931 mL	16.7861 mL
	5 mM	0.3357 mL	1.6786 mL	3.3572 mL
	10 mM	0.1679 mL	0.8393 mL	1.6786 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.