Myt1-IN-1 is a potent Myt1 inhibitor (antagonist) with IC50 <10 nM. Myt1-IN-1 has potential anticancer/anti-tumor effects.

Physicochemical Properties

Molecular Formula	C16H15CLN4O2
Molecular Weight	330.77
Exact Mass	330.088
CAS #	2719749-02-5
PubChem CID	156869546
Appearance	Off-white to light yellow solid powder
LogP	3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	23
Complexity	465
Defined Atom Stereocenter Count	0
SMILES	C12N(C3=C(C)C=CC(O)=C3C)C(N)=C(C(N)=O)C1=CC(Cl)=CN=2
InChi Key	QDLIHXNMTGWVGE-UHFFFAOYSA-N
InChi Code	InChI=1S/C16H15ClN4O2/c1-7-3-4-11(22)8(2)13(7)21-14(18)12(15(19)23)10-5-9(17)6-20-16(10)21/h3-6,22H,18H2,1-2H3,(H2,19,23)
Chemical Name	2-amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-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]. Methods of using myt1 inhibitors. WO2021195782A1.

Solubility Data

Solubility (In Vitro)

DMSO: 20 mg/mL (60.46 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2 mg/mL (6.05 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 20.0 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: ≥ 2 mg/mL (6.05 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 20.0 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 mg/mL (6.05 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 20.0 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	3.0232 mL	15.1162 mL	30.2325 mL
	5 mM	0.6046 mL	3.0232 mL	6.0465 mL
	10 mM	0.3023 mL	1.5116 mL	3.0232 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.