Gly3-VC-PAB-MMAE is made up of cleavable ADC (Antibody-drug conjugate) linker (Gly3-VC-PAB) and MMAE, which is an effective microtubule (tubulin) inhibitor. Gly3-VC-PAB-MMAE may be utilized to prepare ADC molecules.

Physicochemical Properties

Molecular Formula	C64H103N13O15
Molecular Weight	1294.5807363987
Exact Mass	1293.769
CAS #	2684216-48-4
PubChem CID	146673156
Appearance	White to off-white solid powder
LogP	2.4
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	38
Heavy Atom Count	92
Complexity	2410
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(CNC(CNC(CN)=O)=O)=O)=O)=O)C)=O)=O)OC)=O
InChi Key	DTPCLFVVLIDRFT-DYQZUOJJSA-N
InChi Code	InChI=1S/C64H103N13O15/c1-15-39(8)55(47(90-13)31-51(81)77-30-20-24-46(77)57(91-14)40(9)58(83)70-41(10)56(82)43-21-17-16-18-22-43)75(11)62(87)53(37(4)5)74-61(86)54(38(6)7)76(12)64(89)92-35-42-25-27-44(28-26-42)71-59(84)45(23-19-29-67-63(66)88)72-60(85)52(36(2)3)73-50(80)34-69-49(79)33-68-48(78)32-65/h16-18,21-22,25-28,36-41,45-47,52-57,82H,15,19-20,23-24,29-35,65H2,1-14H3,(H,68,78)(H,69,79)(H,70,83)(H,71,84)(H,72,85)(H,73,80)(H,74,86)(H3,66,67,88)/t39-,40+,41+,45-,46-,47+,52-,53-,54-,55-,56+,57+/m0/s1
Chemical Name	[4-[[(2S)-2-[[(2S)-2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[(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]-N-methylcarbamate
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: This product is not stable in solution, please use freshly prepared working solution for optimal results.
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

Targets	Auristatin
ln Vitro	ADC is made up of antibodies that have an ADC linker connecting them to the ADC cytotoxin [1].
References	[1]. Strategies and challenges for the next generation of antibody-drug conjugates. Nat Rev Drug Discov. 2017 May;16(5):315-337.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (77.25 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 5 mg/mL (3.86 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 50.0 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: ≥ 5 mg/mL (3.86 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 50.0 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 (1.93 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	0.7725 mL	3.8623 mL	7.7245 mL
	5 mM	0.1545 mL	0.7725 mL	1.5449 mL
	10 mM	0.0772 mL	0.3862 mL	0.7725 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.