OSu-PEG4-VC-PAB-MMAE participates in the preparation /synthesis of GDP-FAmP4MMAE (methylauristatin E), which labels GDP through site-specific conjugation.

Physicochemical Properties

Molecular Formula	C74H117N11O21
Molecular Weight	1496.78190112114
Exact Mass	1495.842
CAS #	2762518-86-3
PubChem CID	163297181
Appearance	White to off-white solid powder
LogP	2.9
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	50
Heavy Atom Count	106
Complexity	2770
Defined Atom Stereocenter Count	12
SMILES	O(C)[C@H]([C@H](C(N[C@H](C)[C@H](C1C=CC=CC=1)O)=O)C)[C@@H]1CCCN1C(C[C@H]([C@H]([C@@H](C)CC)N(C)C([C@H](C(C)C)NC([C@H](C(C)C)N(C(=O)OCC1C=CC(=CC=1)NC([C@H](CCCNC(N)=O)NC([C@H](C(C)C)NC(CCOCCOCCOCCOCCC(=O)ON1C(CCC1=O)=O)=O)=O)=O)C)=O)=O)OC)=O
InChi Key	BPGOFDCJYPGDRK-KUVCCIEHSA-N
InChi Code	InChI=1S/C74H117N11O21/c1-15-48(8)65(56(99-13)43-60(89)84-34-20-24-55(84)67(100-14)49(9)68(92)77-50(10)66(91)52-21-17-16-18-22-52)82(11)72(96)63(46(4)5)81-71(95)64(47(6)7)83(12)74(98)105-44-51-25-27-53(28-26-51)78-69(93)54(23-19-33-76-73(75)97)79-70(94)62(45(2)3)80-57(86)31-35-101-37-39-103-41-42-104-40-38-102-36-32-61(90)106-85-58(87)29-30-59(85)88/h16-18,21-22,25-28,45-50,54-56,62-67,91H,15,19-20,23-24,29-44H2,1-14H3,(H,77,92)(H,78,93)(H,79,94)(H,80,86)(H,81,95)(H3,75,76,97)/t48-,49+,50+,54-,55-,56+,62-,63-,64-,65-,66+,67+/m0/s1
Chemical Name	(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoate
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: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). Please store this product in a sealed and protected environment (e.g. under nitrogen), 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

References

[1]. Preparation of site-specific antibody conjugates: World Intellectual Property Organization, WO2022037665[P]. 2022-02-24.

Solubility Data

Solubility (In Vitro)

DMSO: 80 mg/mL (53.45 mM) H2O: 1.67 mg/mL (1.12 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2 mg/mL (1.34 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.0 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 mg/mL (1.34 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 20.0 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 mg/mL (1.34 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 20.0 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	0.6681 mL	3.3405 mL	6.6810 mL
	5 mM	0.1336 mL	0.6681 mL	1.3362 mL
	10 mM	0.0668 mL	0.3341 mL	0.6681 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.