Physicochemical Properties
| Molecular Formula | C18H20N2OS |
| Molecular Weight | 312.429203033447 |
| Exact Mass | 312.13 |
| Elemental Analysis | C, 69.20; H, 6.45; N, 8.97; O, 5.12; S, 10.26 |
| CAS # | 4734-59-2 |
| PubChem CID | 458780 |
| Appearance | Pale purple to purple solid powder |
| LogP | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 22 |
| Complexity | 339 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C1=C2C(SC3=C(N2CCN2CCOCC2)C=CC=C3)=CC=C1 |
| InChi Key | VJQXIWLVJMDRGV-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C18H20N2OS/c1-3-7-17-15(5-1)20(10-9-19-11-13-21-14-12-19)16-6-2-4-8-18(16)22-17/h1-8H,9-14H2 |
| Chemical Name | 4-(2-(10H-phenothiazin-10-yl)ethyl)morpholine |
| Synonyms | LSD1-IN-24; J 3-54; J-3-54; J3-54; J 354; J-354; J354; |
| 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 | LSD1-IN-24 (compound 3S) (0–20 μM, 5 days) does not influence BGC-823 and MFC cell proliferation, but it can decrease PD-L1 levels in an LSD1-dependent manner and improve the T cell killing response of BGC-823 cells in a dose-dependent manner. Moreover, it shields H3K4me1/2 from demethylation in a dose-dependent manner while H3K4me3 is not protected [1]. |
| ln Vivo | In a subcutaneous tumor model containing MFC cells, LSD1-IN-24 (compound 3S) (0-50 mg/kg, oral gavage; daily for 2 weeks) significantly lowered Ki67 in tumor tissue and had no overt adverse effects on mice. It also suppresses MFC cell growth in vivo in a dose-dependent manner [1]. |
| Animal Protocol |
Animal/Disease Models: Male 615 mice with MFC cell[1] Doses: 0, 10, 25, and 50 mg/kg Route of Administration: po (oral gavage); daily for 2 weeks Experimental Results: Dramatically diminished intratumoral PD-L1 expression, increased CD3+, CD4+, CD8+ cell numbers, interleukin-2 (IL2) and IFNγ mRNA and protein levels were also upregulated. |
| References |
[1]. Phenothiazine-Based LSD1 Inhibitor Promotes T-Cell Killing Response of Gastric Cancer Cells. J Med Chem. 2023 Mar 23;66(6):3896-3916. |
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 | 3.2007 mL | 16.0036 mL | 32.0072 mL | |
| 5 mM | 0.6401 mL | 3.2007 mL | 6.4014 mL | |
| 10 mM | 0.3201 mL | 1.6004 mL | 3.2007 mL |