Physicochemical Properties
| Molecular Formula | C28H36N6O10 |
| Molecular Weight | 616.619647026062 |
| Exact Mass | 616.249 |
| CAS # | 1599440-25-1 |
| Related CAS # | MC-Gly-Gly-Phe-Gly-NH-CH2-O-CH2COOH;1599440-25-1 |
| PubChem CID | 118305142 |
| Appearance | White to off-white solid powder |
| LogP | -1.3 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 20 |
| Heavy Atom Count | 44 |
| Complexity | 1070 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | O=C([C@H](CC1C=CC=CC=1)NC(CNC(CNC(CCCCCN1C(C=CC1=O)=O)=O)=O)=O)N(COCC(=O)O)CC(N)=O |
| InChi Key | SODPQQOBNODMSG-FQEVSTJZSA-N |
| InChi Code | InChI=1S/C28H36N6O10/c35-21(9-5-2-6-12-34-25(39)10-11-26(34)40)29-14-22(36)30-16-24(38)33-20(13-19-7-3-1-4-8-19)28(43)31-15-23(37)32-18-44-17-27(41)42/h1,3-4,7-8,10-11,20H,2,5-6,9,12-18H2,(H,29,35)(H,30,36)(H,31,43)(H,32,37)(H,33,38)(H,41,42)/t20-/m0/s1 |
| Chemical Name | 2-[[[2-[[(2S)-2-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]methoxy]acetic acid |
| HS Tariff Code | 2934.99.9001 |
| 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) |
Biological Activity
| ln Vitro | An ADC cytotoxin is connected to an antibody by use of an ADC linker to form an ADC. |
| References |
[1]. Conjugué anticorps-médicament. WO2014057687A1. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~162.17 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.86 mg/mL (4.64 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 28.6 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: ≥ 2.86 mg/mL (4.64 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 28.6 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. Solubility in Formulation 3: ≥ 2.86 mg/mL (4.64 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 28.6 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6217 mL | 8.1087 mL | 16.2174 mL | |
| 5 mM | 0.3243 mL | 1.6217 mL | 3.2435 mL | |
| 10 mM | 0.1622 mL | 0.8109 mL | 1.6217 mL |