| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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| ln Vitro |
Prior to the gradual addition of CSCl2 (305 µL of CSCl2, 85%, Acros Organics), a white suspension of 11·4TFA (0.1598 g, 0.16 mmol) and Na2CO3 (0.2540 g, 2.4 mmol) was heated at reflux in acetone (10 mL) for 30 minutes. The orange suspension that resulted was heated at reflux for three hours before being reduced to a pale orange solid and concentrated at 30 °C under reduced pressure. After portioning the material into 10% ACN/H2O with 0.2% TFA (8 mL total), filtering it, and purifying it right away using preparative HPLC, Method C was used. The pure fractions were mixed, concentrated at room temperature under decreased pressure to eliminate the organic solvent, and lyophilized. Fractions at -80 °C were frozen if they could not be concentrated right away. After being obtained as a mixture of white and pale-yellow solid (0.0547 g), isothiocyanate 12 was kept in a jar of Drierite at a temperature of –80 °C. A 0.1 M pH 9.1 NaHCO3 buffer containing 0.154 M NaCl was used to generate a stock solution containing 4.4 mg/mL of macropa-NCS, which was then kept at -80 °C. Macropa-NCS (52 μL) and NaHCO3 buffer (266 μL) were added to a portion of Tmab in saline (74 μL), resulting in final concentrations of Tmab and macropa-NCS of 5.1 mg/mL and 0.59 mg/mL, respectively. Based on the tetra-TFA salt's molecular weight of 1045.76 g/mol, macropa-NCS was shown to be 16 times more molar than Tmab[1].
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|---|---|
| References |
| Molecular Formula |
C26H38CLN5O8
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|---|---|
| Molecular Weight |
584.0616
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| Exact Mass |
583.24
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| CAS # |
2443966-86-5
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| Related CAS # |
Macropa-NH2 TFA;2705054-08-4;Macropa-NH2 diester;2146091-22-5;Macropa-NCS;2146095-31-8
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| PubChem CID |
138911411
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
13
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
40
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| Complexity |
700
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| Defined Atom Stereocenter Count |
0
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| SMILES |
Cl[H].O1C([H])([H])C([H])([H])OC([H])([H])C([H])([H])N(C([H])([H])C2C([H])=C([H])C([H])=C(C(=O)O[H])N=2)C([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])N(C([H])([H])C2C([H])=C(C([H])=C(C(=O)O[H])N=2)N([H])[H])C([H])([H])C1([H])[H]
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| InChi Key |
LFFSSMKPBQSWNZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H37N5O8.ClH/c27-20-16-22(29-24(17-20)26(34)35)19-31-6-10-38-14-12-36-8-4-30(5-9-37-13-15-39-11-7-31)18-21-2-1-3-23(28-21)25(32)33;/h1-3,16-17H,4-15,18-19H2,(H2,27,29)(H,32,33)(H,34,35);1H
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| Chemical Name |
4-amino-6-[[16-[(6-carboxypyridin-2-yl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid;hydrochloride
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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, 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) |
H2O: ≥ 100 mg/mL (171.22 mM)
DMSO: 83.33 mg/mL (142.67 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.56 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 (3.56 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 (3.56 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 | 1.7122 mL | 8.5608 mL | 17.1215 mL | |
| 5 mM | 0.3424 mL | 1.7122 mL | 3.4243 mL | |
| 10 mM | 0.1712 mL | 0.8561 mL | 1.7122 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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