| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| Other Sizes |
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| ln Vivo |
TAK-418 (1 mg/kg; oral; once daily for 14 days) improves certain autism spectrum disorder (ASD)-like symptoms in animals caught in models of chronic neurodevelopmental abnormalities [1]. TAK-418 elevates H3K4me1/2/3 and H3K9me2 levels of the Ucp2 gene and stimulates Ucp2 mRNA expression in primary cultured neurons. TAK-418 also elevates H3K4me1/2/3 of the Bdnf gene. TAK-418 avoids steric hindrance of GFI1B in the binding pocket by creating a tightly formylated adduct form of coenzyme flavin adenine dinucleate (FAD). TAK-418 demonstrates excellent pharmacokinetic characteristics in omnidids and inhibits the LSD1 enzyme in the brain. A single injection of 1 or 3 mg of TAK-418/kg enhanced H3K4me2 levels of the Ucp2 gene in the mouse brain [ 1]. TAK-418 can be active without generating hematological toxicity in hungry animals [1]. Improves neurological difficulties in terms of cells, molecules, and gene expression, and functional and functional levels of KS mouse model (Kmt2d+/βGeo mice) [2].
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| References |
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| Additional Infomation |
TAK-418 is a selective, orally active LSD1 (KDM1A) enzyme inhibitor. TAK-418 unlocks aberrant epigenetic machinery and improves autism symptoms in neurodevelopmental disorder models.
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| Molecular Formula |
C17H25CLN2O2S
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|---|---|
| Molecular Weight |
356.9106
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| Exact Mass |
356.132
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| CAS # |
1818252-53-7
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| Related CAS # |
1818252-52-6;1818252-53-7 (HCl);
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| PubChem CID |
118432651
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| Appearance |
White to yellow solid-liquid Mixture
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
23
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| Complexity |
410
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| Defined Atom Stereocenter Count |
2
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| SMILES |
Cl.S1C=C(C(NC2CCOCC2)=O)C=C1[C@@H]1C[C@H]1NCC1CC1
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| InChi Key |
LEEWMGOHGNRDKC-NUNOUFIPSA-N
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| InChi Code |
InChI=1S/C17H24N2O2S.ClH/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)1H/t14?,15-/m1./s1
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| Chemical Name |
5-((2R)-2-((cyclopropylmethyl)amino)cyclopropyl)-N-(tetrahydro-2H-pyran-4-yl)thiophene-3-carboxamide hydrochloride
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| Synonyms |
TAK418 TAK-418 TAK 418
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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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 : ~55 mg/mL (~154.10 mM)
H2O : ≥ 16.67 mg/mL (~46.71 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5.5 mg/mL (15.41 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 55.0 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: ≥ 5.5 mg/mL (15.41 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 55.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8018 mL | 14.0091 mL | 28.0183 mL | |
| 5 mM | 0.5604 mL | 2.8018 mL | 5.6037 mL | |
| 10 mM | 0.2802 mL | 1.4009 mL | 2.8018 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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