RBN013209 is a potent CD38 inhibitor (antagonist) with IC50 of 0.01-0.1 μM for human CD38. RBN013209 can be used for tumor research.

Physicochemical Properties

Molecular Formula	C19H24N6O3
Molecular Weight	384.432263374329
Exact Mass	384.19
CAS #	2597933-17-8
PubChem CID	155598690
Appearance	Off-white to light yellow solid powder
LogP	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	28
Complexity	516
Defined Atom Stereocenter Count	0
SMILES	O(CCOC)C1CCC(CC1)NC(C1C2=C(C=CN2)N=C(N2C=NC=C2)N=1)=O
InChi Key	VQRPLBOIYMUPNF-HDJSIYSDSA-N
InChi Code	InChI=1S/C19H24N6O3/c1-27-10-11-28-14-4-2-13(3-5-14)22-18(26)17-16-15(6-7-21-16)23-19(24-17)25-9-8-20-12-25/h6-9,12-14,21H,2-5,10-11H2,1H3,(H,22,26)/t13-,14-
Chemical Name	2-(1H-imidazol-1-yl)-N-((1r,4r)-4-(2-methoxyethoxy)cyclohexyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
Synonyms	RBN 013209 RBN-013209 RBN013209
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]. Heterobicyclic amides as inhibitors of cd38. WO2021021986A1.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~260.13 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.41 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 20.8 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: ≥ 2.08 mg/mL (5.41 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 20.8 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: ≥ 2.08 mg/mL (5.41 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 20.8 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	2.6013 mL	13.0063 mL	26.0125 mL
	5 mM	0.5203 mL	2.6013 mL	5.2025 mL
	10 mM	0.2601 mL	1.3006 mL	2.6013 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.