INX-SM-56 is a toxin molecule (cytotoxin) that may be utilized to prepare anti-VISTA antibody active molecular conjugates. VISTA: V-region immunoglobulin-containing inhibitor of T cell activation.

Physicochemical Properties

Molecular Formula	C32H36N2O6S
Molecular Weight	576.70
Exact Mass	576.229
CAS #	2734878-18-1
PubChem CID	164517036
Appearance	White to yellow solid powder
LogP	3.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Heavy Atom Count	41
Complexity	1160
Defined Atom Stereocenter Count	9
SMILES	O=C1C=C2[C@]([C@]3([H])[C@]([H])([C@@]4([H])[C@@]([C@]5([C@](C4)([H])O[C@H](C4SC(CC6=CC(N)=CC=C6)=NC=4)O5)C(=O)CO)(C[C@@H]3O)C)CC2)(C)C=C1
InChi Key	NJJMSRHGOQXBCC-WNDHDDCZSA-N
InChi Code	InChI=1S/C32H36N2O6S/c1-30-9-8-20(36)12-18(30)6-7-21-22-13-26-32(25(38)16-35,31(22,2)14-23(37)28(21)30)40-29(39-26)24-15-34-27(41-24)11-17-4-3-5-19(33)10-17/h3-5,8-10,12,15,21-23,26,28-29,35,37H,6-7,11,13-14,16,33H2,1-2H3/t21-,22-,23-,26+,28+,29-,30-,31-,32+/m0/s1
Chemical Name	(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[2-[(3-aminophenyl)methyl]-1,3-thiazol-5-yl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
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]. Anti-human vista antibodies and use thereof. WO2021216913.

Solubility Data

Solubility (In Vitro)

DMSO : ≥ 50 mg/mL (~86.70 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1.25 mg/mL (2.17 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 12.5 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	1.7340 mL	8.6700 mL	17.3400 mL
	5 mM	0.3468 mL	1.7340 mL	3.4680 mL
	10 mM	0.1734 mL	0.8670 mL	1.7340 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.