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5mg |
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10mg |
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25mg |
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50mg |
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100mg |
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Other Sizes |
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Purity: ≥98%
Pulrodemstat (formerly CC-90011; LSD1-IN-7; CC90011) is a novel, highly potent, reversible and orally bioavailable inhibitor of lysine specific demethylase-1 (LSD1) with 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 |
Pulrodemstat (CC-90011, Compound 11) shows anti-proliferative activity in AML kasumi-1 cells with an EC50 of 2 nM and potently promotes the targeted cell differentiation marker CD11b in THP-1 cell line[1]. During a 4-day course of therapy, pharmacologically effective doses of Pulrodemstat (EC50=3 nM, H209, and 4 nM, H1417) were observed to inhibit GRP in a dose-dependent manner. Strong antiproliferative action (EC50=6 nM, H1417), linked to GRP inhibition, was seen in SCLC cells treated with Pulrodemstat for a duration of 12 days [1].
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ln Vivo |
In patient-derived xenograft SCLC models, treatment with Pulrodemstat (CC-90011; 5 mg/kg; oral; daily; for 30 days) suppresses tumor growth [1]. GRP mRNA levels were strongly downregulated in SCLC human tumor xenograft (H1417) mice treated with Pulrodemstat (once daily; for 4 days); the highest GRP was observed at 5 mg/kg Inhibit[1]. Pulrodemstat (Compound 11; 5 mg/kg) has an elimination half-life of two hours, a systemic clearance of 32.4 mL/min/kg, and a volume of distribution of up to 7.5 L/kg following intravenous injection. Compound 11, or pulrodemstat, is readily absorbed when taken orally. Its AUC0-24h is 1.8 μM·h, its C/sub>max is 0.36 μM, and its oral bioavailability is 32% [1].
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Animal Protocol |
Animal/Disease Models: Small cell lung cancer (SCLC) BALB/c nude mice [1]
Doses: 5 mg/kg Route of Administration: Oral; Route of Administration: Oral. Daily; 30-day Experimental Results: 78% tumor growth inhibition (TGI) at 5 mg/kg without 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 |
C24H23F2N5O2
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Molecular Weight |
451.47
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CAS # |
1821307-10-1
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Related CAS # |
Pulrodemstat benzenesulfonate;2097523-60-7;Pulrodemstat Methylbenzenesulfonate;2097523-57-2
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Appearance |
Typically exists as solids (or liquids in special cases) at room temperature
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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
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InChi Key |
NBAIXBAUHIQQGF-UHFFFAOYSA-N
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InChi Code |
InChI=1S/C24H23F2N5O2/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)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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Chemical Name |
4-(2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)-2-fluorobenzonitrile
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Synonyms |
CC-90011 LSD1-IN-7CC 90011 CC90011
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HS Tariff Code |
2934.99.9001
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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)
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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
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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
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *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). View More
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)] 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). View More
Oral Formulation 3: Dissolved in PEG400  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 2.2150 mL | 11.0749 mL | 22.1499 mL | |
5 mM | 0.4430 mL | 2.2150 mL | 4.4300 mL | |
10 mM | 0.2215 mL | 1.1075 mL | 2.2150 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.