Cbl-b-IN-1 (example 519) is an inhibitor (blocker/antagonist) of Cbl-b. The information is from patent WO2019148005A1. Its IC50 is <100 nM.

Physicochemical Properties

Molecular Formula	C29H34N6O2
Molecular Weight	498.6193
Exact Mass	498.274
CAS #	2368841-84-1
PubChem CID	139360969
Appearance	Off-white to light yellow solid powder
LogP	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	37
Complexity	842
Defined Atom Stereocenter Count	0
SMILES	O1C([H])([H])C(C2C([H])=C([H])C([H])=C(C=2[H])N([H])C(C2=C([H])C(=C([H])C(C3([H])C([H])([H])C3([H])[H])=N2)C([H])([H])N2C([H])([H])C([H])([H])C3(C2([H])[H])C([H])([H])C3([H])[H])=O)(C([H])([H])C2=NN=C([H])N2C([H])([H])[H])C1([H])[H]
InChi Key	VXMQSDNIOKDJHW-UHFFFAOYSA-N
InChi Code	InChI=1S/C29H34N6O2/c1-34-19-30-33-26(34)14-29(17-37-18-29)22-3-2-4-23(13-22)31-27(36)25-12-20(11-24(32-25)21-5-6-21)15-35-10-9-28(16-35)7-8-28/h2-4,11-13,19,21H,5-10,14-18H2,1H3,(H,31,36)
Chemical Name	4-(5-azaspiro[2.4]heptan-5-ylmethyl)-6-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide
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

References

[1]. INHIBITORS OF CBL-B AND METHODS OF USE THEREOF. WO/2019/148005A1.

Solubility Data

Solubility (In Vitro)

DMSO : ~60 mg/mL (~120.33 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 6 mg/mL (12.03 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 60.0 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: ≥ 6 mg/mL (12.03 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 60.0 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: ≥ 6 mg/mL (12.03 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 60.0 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	2.0055 mL	10.0277 mL	20.0554 mL
	5 mM	0.4011 mL	2.0055 mL	4.0111 mL
	10 mM	0.2006 mL	1.0028 mL	2.0055 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.