OncoFAP is an ultra-high affinity fibroblast activating protein (FAP) ligand with tumor targeting potential.

Physicochemical Properties

Molecular Formula	C21H19F2N5O5
Molecular Weight	459.402871370316
Exact Mass	459.135
CAS #	2639365-69-6
PubChem CID	156600097
Appearance	White to light yellow solid powder
LogP	0.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Heavy Atom Count	33
Complexity	844
Defined Atom Stereocenter Count	1
SMILES	C(O)(=O)CCC(NC1=C2C(=CC=C1)C(C(NCC(N1CC(F)(F)C[C@H]1C#N)=O)=O)=CC=N2)=O
InChi Key	PNRJDKPIARNTNM-LBPRGKRZSA-N
InChi Code	InChI=1S/C21H19F2N5O5/c22-21(23)8-12(9-24)28(11-21)17(30)10-26-20(33)14-6-7-25-19-13(14)2-1-3-15(19)27-16(29)4-5-18(31)32/h1-3,6-7,12H,4-5,8,10-11H2,(H,26,33)(H,27,29)(H,31,32)/t12-/m0/s1
Chemical Name	4-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-8-yl]amino]-4-oxobutanoic 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 (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)

Biological Activity

References

[1]. An ultra-high-affinity small organic ligand of fibroblast activation protein for tumor-targeting applications. Proc Natl Acad Sci U S A. 2021 Apr 20;118(16):e2101852118.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~217.68 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.44 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 (5.44 mM) 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; with ultrasonication. 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (5.44 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 25.0 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	2.1768 mL	10.8838 mL	21.7675 mL
	5 mM	0.4354 mL	2.1768 mL	4.3535 mL
	10 mM	0.2177 mL	1.0884 mL	2.1768 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.