Fmoc-3VVD-OH is an intermediate in the preparation /synthesis of Monomethyl auristatin E. Monomethyl auristatin E is a tubulin polymerization inhibitor and can be used as a toxin (ADC Cytotoxin) for the synthesis of Antibody-drug conjugates (ADC).

Physicochemical Properties

Molecular Formula	C36H51N3O7
Molecular Weight	637.806050539017
Exact Mass	637.37
Elemental Analysis	C, 67.79; H, 8.06; N, 6.59; O, 17.56
CAS #	863971-44-2
Related CAS #	Fmoc-3VVD-OH;863971-44-2
PubChem CID	60042710
Appearance	White to off-white solid powder
LogP	6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	16
Heavy Atom Count	46
Complexity	1010
Defined Atom Stereocenter Count	5
SMILES	C(C1C2C=CC=CC=2C2C=CC=CC1=2)OC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)[C@H](OC)CC(=O)O
InChi Key	SMVBIYSFDNRJJI-FCUBIXSHSA-N
InChi Code	InChI=1S/C36H51N3O7/c1-10-23(6)33(29(45-9)19-30(40)41)38(7)35(43)31(21(2)3)37-34(42)32(22(4)5)39(8)36(44)46-20-28-26-17-13-11-15-24(26)25-16-12-14-18-27(25)28/h11-18,21-23,28-29,31-33H,10,19-20H2,1-9H3,(H,37,42)(H,40,41)/t23-,29+,31-,32-,33-/m0/s1
Chemical Name	(5S,8S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,8-diisopropyl-12-methoxy-4,10-dimethyl-3,6,9-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid
Synonyms	Fmoc-3VVD-OH;
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
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	Cleavable Linker
ln Vitro	ADCs are made up of an antibody and an ADC cytotoxin that are joined together by an ADC linker.
References	[1]. Michinori Akaiwa, et al. Synthesis and Evaluation of Linear and Macrocyclic Dolastatin 10 Analogues Containing Pyrrolidine Ring Modifications. ACS Omega. 2018 May 31;3(5):5212-5221.

Solubility Data

Solubility (In Vitro)

DMSO : ≥ 37 mg/mL (58.01 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 5 mg/mL (7.84 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.5679 mL	7.8393 mL	15.6787 mL
	5 mM	0.3136 mL	1.5679 mL	3.1357 mL
	10 mM	0.1568 mL	0.7839 mL	1.5679 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.