BM-1074 is a potent and specific Bcl-2/Bcl-xL inhibitor (antagonist) with IC50s of 1.8 nM (Bcl-2) and 6.9 nM (Bcl-xL) respectively. Kis are both less than 1 nM. BM- 1074 can cause apoptosis and has anti-proliferation activity on four small cell lung cancer/tumor cell lines (H146, H1963, H187, H1417) with IC50 of 1-2 nM.

Physicochemical Properties

Molecular Formula	C11H9F3O2S
Molecular Weight	262.248172521591
Exact Mass	262.028
CAS #	1391108-10-3
PubChem CID	56933431
Appearance	Typically exists as solid at room temperature
LogP	3.786
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	18
Heavy Atom Count	69
Complexity	1860
Defined Atom Stereocenter Count	1
SMILES	CC(N1C(C)=C(C(NS(=O)(C)=O)=O)C(C2=CC(N3CCN(C4=CC=C(NS(=O)(C5=CC([N+]([O-])=O)=C(N[C@@H](CSC6=CC=CC=C6)CCN(C)C)C=C5)=O)C=C4)CC3)=CC=C2)=C1C7=CC=C(Cl)C=C7)C
InChi Key	GISBATIMZJHKJK-RRHRGVEJSA-N
InChi Code	InChI=1S/C50H57ClN8O7S3/c1-34(2)58-35(3)47(50(60)54-68(6,63)64)48(49(58)36-15-17-38(51)18-16-36)37-11-10-12-42(31-37)57-29-27-56(28-30-57)41-21-19-39(20-22-41)53-69(65,66)44-23-24-45(46(32-44)59(61)62)52-40(25-26-55(4)5)33-67-43-13-8-7-9-14-43/h7-24,31-32,34,40,52-53H,25-30,33H2,1-6H3,(H,54,60)/t40-/m1/s1
Chemical Name	5-(4-chlorophenyl)-4-[3-[4-[4-[[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylamino]phenyl]piperazin-1-yl]phenyl]-2-methyl-N-methylsulfonyl-1-propan-2-ylpyrrole-3-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	BM-1074 (compound 32) demonstrates a strong binding affinity to the proteins Bcl-2 and Bcl-xL, as well as inhibitory activity against the cell lines H146, H1963, H187, and H1417 [1].
ln Vivo	In H146 tumor xenograft mice, BM-1074 (iv, 15 mg/kg, daily, 5 days per week for 2 weeks) exhibited a maximum tolerated dose (MTD) of 15 mg/kg and strong antitumor activity. It also did not cause any appreciable weight loss (<5%) or other toxic signs [1]. In H146 tumor tissue, BM-1074 (intravenous injection, 15 mg/kg, single dose) can strongly induce apoptosis [1].
Cell Assay	Cell proliferation assay[1] Cell Types: H146, H1963, H187 and H1417 Tested Concentrations: 0-200 nM Incubation Duration: 4 days Experimental Results: Inhibited cell growth of H146, H1963, H187 and H1417 cell lines with IC50 value of 1.3 nM respectively 1.0 nM, 1.4 nM and 2.3 nM.
Animal Protocol	Animal/Disease Models: SCID (severe combined immunodeficient) mouse (subcutaneous injection of 5 x 106 H146 cancer cells and Matrigel) [1] Doses: 15 mg/kg Route of Administration: intravenous (iv) (iv)injection, 15 mg/kg per day, 5 days per week, for 2 weeks Experimental Results: was well tolerated and did not cause significant weight loss or other signs of toxicity, and also induced complete and sustained tumor regression in the H146 xenograft model. Animal/Disease Models: SCID (severe combined immunodeficient) mouse (subcutaneous injection of 5 x 106 H146 cancer cells and Matrigel) [1] Doses: 15 mg/kg Route of Administration: intravenous (iv) (iv)injection, 15 mg/kg, single dose Experimental Results: Induction of PARP and caspase-3 of robust lysis in H146 tumor tissue at the 3 hour and 6 hour time points.
References	[1]. A potent and highly efficacious Bcl-2/Bcl-xL inhibitor. J Med Chem. 2013 Apr 11;56(7):3048-3067.

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	3.8132 mL	19.0658 mL	38.1316 mL
	5 mM	0.7626 mL	3.8132 mL	7.6263 mL
	10 mM	0.3813 mL	1.9066 mL	3.8132 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.