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Pulrodemstat besylate (formerly CC-90011 besylate; LSD1-IN-7), the besylate salt of CC-90011 (LSD1-IN7; CC90011), is a highly potent and orally bioavailable inhibitor of lysine specific demethylase-1 (LSD1) with potential anticancer activity. CC-90011 exhibits potent on-target induction of cellular differentiation in acute myeloid leukemia (AML) and small cell lung cancer (SCLC) cell lines, and antitumor efficacy in patient-derived xenograft (PDX) SCLC models. CC-90011 is currently in phase 2 trials in patients with first line, extensive stage SCLC (ClinicalTrials.gov identifier: NCT03850067).
| ln Vitro |
CC-90011 (Compound 11) has the ability to efficiently increase the cell proliferation marker CD11b in THP-1 cell line at an EC50 of 7 nM. Additionally, at an EC50 of 2 nM, it has anti-proliferative activity in AML kasumi-1 cells. After four days of CC-90011 treatment, GRP inhibition was seen in a dose-dependent and pharmacological manner at effective concentrations (EC50=3 nM (H209 cells) and 4 nM (H1417 cells)). Strong antiproliferative action linked to GRP inhibition is produced when SCLC cells are treated with CC-90011 for 12 days (EC50=6 nM (H1417 cells)) [1].
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| ln Vivo |
In mouse-derived xenograft SCLC models, CC-90011 (5 mg/kg; daily; for 30 days) suppresses tumor growth [1]. CC-90011, administered once daily for four days, resulted in strong transcription of GRP mRNA levels at 2.5 mg/kg and peak inhibition of GRP at 5 mg/kg in a mouse model of SCLC human tumor xenograft (H1417) [1]. After being injected intravenously, CC-90011 (Compound 11; 5 mg/kg) exhibits a 32.4 mL/min/kg systemic clearance, a 2-hour elimination half-life, and a proliferation of >7.5 L/kg. Compound 11, or CC-90011, is readily absorbed after the brain, with a minimum bioavailability of 32%, an AUC0-24h of 1.8 μM·h, and a Cmax of 0.36 μM [1].
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| Animal Protocol |
Animal/Disease Models: BALB/c nude mice bearing small cell lung cancer (SCLC) [1]
Doses: 5 mg/kg: oral administration; daily; continued for 30 days Experimental Results: Tumor growth inhibition (TGI) at the dose of 5 mg/kg ) is 78% and there is no weight loss. |
| References |
[1]. Toufike Kanouni, et al. Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1). J Med Chem. 2020 Dec 10;63(23):14522-14529.
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| Molecular Formula |
C₃₀H₂₉F₂N₅O₅S
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|---|---|
| Molecular Weight |
609.643572568893
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| CAS # |
2097523-60-7
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| Related CAS # |
Pulrodemstat Methylbenzenesulfonate;2097523-57-2;Pulrodemstat;1821307-10-1
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| SMILES |
N#CC1=CC=C(C(N=C(N2CCC(N)CC2)N3C)=C(C4=CC=C(OC)C(F)=C4)C3=O)C=C1F.O=S(C5=CC=CC=C5)(O)=O
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| InChi Key |
AWZCBGWZNHQCIZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H23F2N5O2.C6H6O3S/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-317-10(8,9)6-4-2-1-3-5-6/h3-6,11-12,17H,7-10,28H2,1-2H31-5H,(H,7,8,9)
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| Chemical Name |
4-[2-(4-Amino-piperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile
benzenesulfonic acid
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| Synonyms |
CC-90011 besylate CC90011 CC-90011 CC 90011
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~50 mg/mL (~82.02 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.41 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 (3.41 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6403 mL | 8.2016 mL | 16.4031 mL | |
| 5 mM | 0.3281 mL | 1.6403 mL | 3.2806 mL | |
| 10 mM | 0.1640 mL | 0.8202 mL | 1.6403 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.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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