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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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Monomethyl auristatin F (MMAF) HCl is a highly potent tubulin inhibitor and an antineoplastic agent used as a warhead in ADCs (antibody-drug conjugates) such as vorsetuzumab mafodotin and SGN-CD19A. Mafodotin is the term used in International Nonproprietary Names for MMAF-antibody-conjugates to describe MMAF along with its antibody-binding structure. As opposed to auristatin F, which has two methyl substituents in its N-terminal amino group, MMAF is actually desmethyl-auristatin F.
| Targets |
Auristatin
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|---|---|
| ln Vitro |
MMAF prevents the growth of anaplastic large cell lymphoma. In vitro cytotoxicity assays yielded IC50 values of 119, 105, 257, and 200 nM for Karpas 299, breast carcinoma H3396, renal cell carcinoma 786-O, and Caki-1 cells[4].
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| ln Vivo |
MMAF has a much higher maximum tolerated dose in mice (>16 mg/kg) than MMAE (1 mg/kg). The MTD of cAC10-L1-MMAF4 is 15 mg/kg in rats and 50 mg/kg in mice. With MTDs in mice and rats of >150 mg/kg and 90 mg/kg in rats, respectively, the corresponding cAC10-L4-MMAF4 ADC was significantly less toxic[4].
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| Cell Assay |
Depending on the cell line, cells are treated with serial dilutions of test molecules and incubated for four to six days. The Alamar Blue dye reduction assay is used to evaluate cellular growth and reduce data in order to produce IC50 values[1].
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| Animal Protocol |
Mice: The size of the subcutaneous Karpas 299 tumor is 300 mm3, and three animals per group are given one intravenous injection of either cAC10-L1-MMAF4 or cBR96-L1-MMAF4 (10 mg antibody component/kg body weight). Immunohistochemistry evaluation is used to stain 5 μm-thin frozen tissue sections after the tumors have been removed and placed in an optimal cutting temperature compound[1].
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| References |
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| Molecular Formula |
C39H66CLN5O8
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|---|---|
| Molecular Weight |
768.4231
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| Exact Mass |
767.46
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| CAS # |
1415246-68-2
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| Related CAS # |
MMAF;745017-94-1;MMAF-d8 hydrochloride;MMAF sodium;1799706-65-2;MMAF-OMe;863971-12-4;MMAF-d8
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| PubChem CID |
78357791
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| Appearance |
White to off-white solid
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| LogP |
5.016
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
21
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| Heavy Atom Count |
53
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| Complexity |
1160
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| Defined Atom Stereocenter Count |
9
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| SMILES |
Cl[H].O(C([H])([H])[H])[C@]([H])([C@]([H])(C(N([H])[C@]([H])(C(=O)O[H])C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])=O)C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])C([H])([H])N1C(C([H])([H])[C@]([H])([C@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])N(C([H])([H])[H])C([C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C([C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C([H])([H])[H])=O)=O)OC([H])([H])[H])=O
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| InChi Key |
BUPKFQQDMNUXOY-KMYLZLQDSA-N
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| InChi Code |
InChI=1S/C39H65N5O8.ClH/c1-12-25(6)34(43(9)38(48)33(24(4)5)42-37(47)32(40-8)23(2)3)30(51-10)22-31(45)44-20-16-19-29(44)35(52-11)26(7)36(46)41-28(39(49)50)21-27-17-14-13-15-18-27;/h13-15,17-18,23-26,28-30,32-35,40H,12,16,19-22H2,1-11H3,(H,41,46)(H,42,47)(H,49,50);1H/t25-,26+,28-,29-,30+,32-,33-,34-,35+;/m0./s1
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| Chemical Name |
(2S)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-3-phenylpropanoic acid;hydrochloride
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| Synonyms |
Monomethylauristatin F hydrochloride; MMAF 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: (1). This product is not stable in solution, please use freshly prepared working solution for optimal results. (2). 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) |
DMSO: ~27 mg/mL (~35.1 mM)
H2O: < 0.1 mg/mL |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.25 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 25.0 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: ≥ 2.5 mg/mL (3.25 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 25.0 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: ≥ 2.5 mg/mL (3.25 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 | 1.3014 mL | 6.5069 mL | 13.0137 mL | |
| 5 mM | 0.2603 mL | 1.3014 mL | 2.6027 mL | |
| 10 mM | 0.1301 mL | 0.6507 mL | 1.3014 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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