SAG free base;SAG; SAG (cyclopamine antagonist); SAG (Smo agonist)
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| 1mg |
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| 2mg |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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Purity: ≥98%
Smoothened Agonist (SAG), a benzothiophene analog, is a potent and cell-permeable Smoothened (Smo) agonist with EC50 of 3 nM in Shh-LIGHT2 cells. In Shh-light 2 cells, SAG significantly (EC50 ~ 3 nM) activates the Hedgehog signaling pathway. Ptch proteins are not necessary for SAG to cause pathway activation. The hedgehog pathway, which is connected to both normal development and carcinogenesis, uses the Smoothened receptor (SMO) to mediate signal transduction. Certain tumors' growth can be inhibited by SMO antagonists.
| Targets |
Smo ( EC50 = 3 nM )
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| ln Vitro |
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| ln Vivo |
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| Cell Assay |
CGNP are stimulated by various SAG concentrations (15 to 240 nM) compared with ShhN (3 μg/ml) and vehicle after 24 hours in vitro. With the LightCycler 480, quantitative reverse transcription-PCR is carried out using SYBR Green master mix.
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| Additional Infomation |
3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide is a member of the class of 1-benzothiophenes that is 3-chloro-1-benzothiophene-2-carboxamide in which the amide nitrogen is substituted by trans-4-(methylamino)cyclohexyl and 3-(pyridin-4-yl)benzyl groups. A smoothened (Smo) receptor agonist that antagonizes cyclopamine action at the Smo receptor. Activates the Hedgehog signaling pathway in a Patched independent manner. It has a role as a SMO receptor agonist. It is a member of 1-benzothiophenes, an organochlorine compound, a biaryl, a phenylpyridine, a tertiary carboxamide and a secondary amino compound.
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| Molecular Formula |
C28H28CLN3OS
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| Molecular Weight |
490.06
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| Exact Mass |
489.164
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| Elemental Analysis |
C, 68.63; H, 5.76; Cl, 7.23; N, 8.57; O, 3.26; S, 6.54
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| CAS # |
912545-86-9
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| Related CAS # |
SAG hydrochloride; 2095432-58-7; SAG dihydrochloride; 2702366-44-5; SAG-d3; (Rac)-SAG; 364590-63-6
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| PubChem CID |
5284330
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| Appearance |
White to yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
688.6±55.0 °C at 760 mmHg
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| Flash Point |
370.3±31.5 °C
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| Vapour Pressure |
0.0±2.1 mmHg at 25°C
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| Index of Refraction |
1.678
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| LogP |
6.42
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
34
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| Complexity |
666
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
VFSUUTYAEQOIMW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3
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| Chemical Name |
3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
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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: ≥ 10 mg/mL (20.41 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 100.0 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: ≥ 10 mg/mL (20.41 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 100.0 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: ≥ 10 mg/mL (20.41 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0406 mL | 10.2028 mL | 20.4057 mL | |
| 5 mM | 0.4081 mL | 2.0406 mL | 4.0811 mL | |
| 10 mM | 0.2041 mL | 1.0203 mL | 2.0406 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 |
| NCT05823207 | Not yet recruiting | Other: sage essential oil | Premenstrual Syndrome Anxiety |
Cansu Mine Aydin | May 2023 | Not Applicable |
| NCT04735419 | Recruiting | Other: No intervention | Streptococcus Agalactiae Infection | St George's, University of London | December 1, 2021 | N/A |
| NCT01888471 | NCT01888471 | Procedure: Blood sample Other: Vaginal swab sample |
Streptococcus Agalactiae | GlaxoSmithKline | December 11, 2013 | Not Applicable |
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