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| 25mg |
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| 50mg |
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| 100mg |
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Purity: ≥98%
U-104 (MST-104; U104; SLC-0111; NSC-213841) is a novel and potent inhibitor of transmembrane carbonic anhydrase (CA) with potential antineoplastic activity. It inhibits CA IX and CA XII with Ki values of 45.1 nM and 4.5 nM respectively. U-104 shows high in vivo antitumor efficacy in Balb/c mice orthotopically implanted with 4T1 cells.
| ln Vitro |
U-104 (SLC-0111) is a strong inhibitor of exosomes[3]. For CA I (Ki=5080 nM) and CA II (Ki=9640 nM), U-104 exhibits modest inhibition[1]. Under hypoxic conditions, U-104 (50 μM) inhibits the mesenchymal phenotype in the population of cancer stem cells in 4T1 cells. This effect lasts for 72 hours. In metastatic MDA-MB-231 LM2 -4Luc+ cells, U-104 (<50 μM) markedly and dose-dependently decreases migration, causing the cells to develop as compact colonies resembling those of the parent MDA-MB-231 cells[2].
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| ln Vivo |
In mice implanted orthotopically with MDA-MB-231 LM2-4Luc+ cells, U-104 (19, 38 mg/kg; daily; for 27 days) suppresses the formation of primary tumors. The 4T1 experimental metastatic mouse model exhibits inhibition of metastasis formation in response to U-104 (19 mg/kg; daily; for 27 days; 5 days)[1]. ?When MDA-MB-231 LM2-4Luc+ cells are orthotopically implanted in NOD/SCID mice, U-104 (38 mg/kg; ip; 11–27 days) dramatically suppresses the number of cancer stem cells and slows the formation of primary tumors[2]. ?Balb/c mice orthotopically implanted with 4T1 cells exhibit a substantial delay in tumor formation when U-104 (50 mg/kg; oral gavage; continuously for 4 days and halted for 1 day; from 10 to 30 days) is administered[2].
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| Additional Infomation |
CAIX Inhibitor SLC-0111 is a sulfonamide carbonic anhydrase inhibitor with potential antineoplastic activity. Upon administration, CAIX inhibitor SLC-0111 inhibits tumor-associated carbonic anhydrase IX (CAIX), an hypoxia-inducible transmembrane glycoprotein that catalyzes the reversible reaction and rapid interconversion of carbon dioxide and water to carbonic acid, protons, and bicarbonate ions. This prevents both the acidification of the tumor's extracellular microenvironment and cytoplasmic alkalization. This increases cell death in CAIX-expressing, hypoxic tumors. CAIX is overexpressed in various tumors and plays a key role in intra- and extracellular pH regulation, cancer cell progression, survival, migration and invasion; it is also involved in resistance to both chemo- and radiotherapy.
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| Molecular Formula |
C13H12FN3O3S
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| Molecular Weight |
309.32
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| Exact Mass |
309.058
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| CAS # |
178606-66-1
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| Related CAS # |
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| PubChem CID |
310360
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| Appearance |
White to off-white solid powder
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| Density |
1.5±0.1 g/cm3
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| Melting Point |
242-243℃
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| Index of Refraction |
1.673
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| LogP |
2.12
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
21
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| Complexity |
450
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
YJQZNWPYLCNRLP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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| Chemical Name |
1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)urea
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| Synonyms |
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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 |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.72 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 (6.72 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (6.72 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 30% PEG400+0.5% Tween80+5% propylene glycol:30mg/mL |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2329 mL | 16.1645 mL | 32.3290 mL | |
| 5 mM | 0.6466 mL | 3.2329 mL | 6.4658 mL | |
| 10 mM | 0.3233 mL | 1.6164 mL | 3.2329 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT05025722 | Completed | Other: Non Interventional | Pseudoxanthoma Elasticum | Daiichi Sankyo | August 30, 2021 | |
| NCT04459585 | Completed Has Results | Drug: Dabigatran Etexilate Mesylate Drug: Quizartinib |
Healthy Subjects Drug-drug Interaction |
Daiichi Sankyo Co., Ltd. | August 28, 2020 | Early Phase 1 |
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