| Field | Specification |
|---|---|
| Alternative names | Aur0101; Auristatin-0101 |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C39H62N6O6S |
| Purity | |
| Activity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
PF-06380101, also known as Aur0101 or Auristatin-0101, is an auristatin microtubule inhibitor and a cytotoxic Dolastatin 10 analogue. It shows excellent potencies in tumor cell proliferation assays and differential ADME properties compared with other synthetic auristatin analogues used in the preparation of ADCs. It is supplied as a white to off-white solid (C39H62N6O6S, MW 743.01) at 99.95% purity.
Physical & Chemical Properties
| CAS Number | 1436391-86-4 |
|---|---|
| Molecular Formula | C39H62N6O6S |
| Molecular Weight | 743.01 g/mol |
| Purity | 99.95% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | CC[C@H](C)[C@@H]([C@@H](CC(N1[C@@H](CCC1)[C@@H]([C@@H](C)C(N[C@H](C2=NC=CS2)CC3=CC=CC=C3)=O)OC)=O)OC)N(C([C@H](C(C)C)NC(C(C)(C)N)=O)=O)C |
| Signaling Pathway | Cell Cycle/DNA Damage; Cytoskeleton; Antibody-Drug Conjugate/ADC Related |
| Bioactivity Class | Auristatin |
| Solubility | In Vitro: DMSO: ≥ 65 mg/mL (87.48 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) * "≥" means soluble, but saturation unknown. |
| Storage | Powder: -20°C, 3 years; 4°C, 2 years. In solvent: -80°C, 6 months; -20°C, 1 month. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | ≥ 65 mg/mL (87.48 mM) | use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); avoid repeated freeze-thaw cycles.
In Vivo
Choose the formulation that suits the animal model and route of administration; percentages are volume ratios of the final working solution. Start from a clear DMSO stock (see In Vitro above), add the co-solvents one at a time in the order listed, mixing after each addition, and prepare the working solution fresh on the day of dosing. If precipitation or phase separation occurs, gentle warming or sonication can help.
Protocol 1
| Composition | 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | ≥ 2.5 mg/mL (3.36 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 400 μL PEG300; then 50 μL Tween-80; then 450 μL saline to bring the volume to 1 mL. Saline: dissolve 0.9 g sodium chloride in ddH2O and make up to 100 mL. |
Protocol 2
| Composition | 10% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | 2.5 mg/mL (3.36 mM); suspension; requires sonication |
| How to prepare | Gives a suspension at 2.5 mg/mL. The suspension is suitable for oral and intraperitoneal dosing. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL 20% SBE-β-CD in saline. 20% SBE-β-CD in saline: dissolve 2 g SBE-β-CD powder in 10 mL saline until clear (4°C, store up to one week). |
Protocol 3
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | ≥ 2.5 mg/mL (3.36 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vivo
Following an IV dose of 20a (20 μg/kg) in Wistar Han rats, PF-06380101 showed systemic clearance (Cl) averaging 70 mL/min/kg together with a volume of distribution (Vss) of 14.70 L/kg, giving a terminal elimination half-life (t1/2) of approximately 6 h. PF-06380101 distributes preferentially into human plasma over whole blood, and PF-06380101 is a P-glycoprotein (P-gp) substrate. PF-06380101 is expected to pose a low risk of causing pharmacokinetic drug interactions with compounds whose primary clearance mechanism is metabolism by CYP1A2, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, and/or CYP3A4/5. Use of the new auristatin analogues as ADC payloads, including development of the lead analogue 20a (PF-06380101), will be reported in due course.
Data provided by the manufacturer.
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