BC-1382 is a potent inhibitor of ubiquitin E3 ligase HECTD2 that specifically disrupts the HECTD2/PIAS1 interaction (IC50≈ 5 nM). exhibits anti-inflammatory effect.

Physicochemical Properties

Molecular Formula	C23H29N3O5S
Molecular Weight	459.56
Exact Mass	459.182
CAS #	1013753-99-5
PubChem CID	17585104
Appearance	White to off-white solid powder
Density	1.3±0.1 g/cm3
Index of Refraction	1.584
LogP	2.13
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	32
Complexity	724
Defined Atom Stereocenter Count	1
SMILES	C[C@@H](C(=O)NCC1=CC=CC=C1OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
InChi Key	RCWXKFCEGKXUIN-KRWDZBQOSA-N
InChi Code	InChI=1S/C23H29N3O5S/c1-17(22(27)24-16-19-8-6-7-11-21(19)31-2)25-23(28)18-12-14-26(15-13-18)32(29,30)20-9-4-3-5-10-20/h3-11,17-18H,12-16H2,1-2H3,(H,24,27)(H,25,28)/t17-/m0/s1
Chemical Name	1-(benzenesulfonyl)-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
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	Targeting HECTD2, BC-1382 reduces lung inflammation brought on by lipopolysaccharide (LPS) and pseudomonas aeruginosa. One ubiquitin E3 ligase is HECTD2. The degree of cytokine-driven lung inflammation is lessened by BC-1382[1]. With an IC50 of about 100 nM, BC-1382 significantly raises the level of PIAS1 protein in a nonstimulus condition[1]. By raising its t1/2, BC-1382 increases the stability of the PIAS1 protein[1]. PIAS1 degradation caused by LPS is inhibited by BC-1382, and PIAS1 protein levels are restored at 800 nM[1]. Human peripheral blood mononuclear cells' (PBMCs') release of proinflammatory cytokines induced by lipopolysaccharide (LPS) is inhibited by BC-1382[1].
ln Vivo	In both PA103-stimulated and LPS-stimulated animals, BC-1382 (10 mg/kg; intraperitoneal injection) dramatically reduces lavage protein concentrations, lavage cell counts, and cell infiltrates. In both models, BC-1382 dramatically lowers lavage cytokine levels[1].
Animal Protocol	Animal/Disease Models: C57BL/6J mice were challenged intratracheally with PA103 (104 CFU per mouse) or LPS (3 mg/kg)[1] Doses: 10 mg/kg Route of Administration: Given through intraperitoneal (ip) injection Experimental Results: Dramatically diminished lavage protein concentrations, lavage cell counts, and cell infiltrates in both PA103-stimulated and LPS-stimulated mice. Dramatically diminished lavage cytokine levels in both models.
References	[1]. The proinflammatory role of HECTD2 in innate immunity and experimental lung injury. Sci Transl Med. 2015 Jul 8;7(295):295ra109.

Solubility Data

Solubility (In Vitro)

DMSO: 125 mg/mL (272.00 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (4.53 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (4.53 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. Solubility in Formulation 3: ≥ 2.08 mg/mL (4.53 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.1760 mL	10.8800 mL	21.7599 mL
	5 mM	0.4352 mL	2.1760 mL	4.3520 mL
	10 mM	0.2176 mL	1.0880 mL	2.1760 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.