NSC 107512 is a potent cyclin-dependent kinase 9 (CDK9) inhibitor. NSC 107512 is a sangithromycin-like molecule (SLM). NSC 107512 inhibits multiple myeloma tumor growth and causes apoptosis.

Physicochemical Properties

Molecular Formula	C12H16N6O5
Molecular Weight	324.29
Exact Mass	324.118
CAS #	22242-89-3
PubChem CID	5369182
Appearance	White to off-white solid powder
Density	2.1g/cm3
Boiling Point	812ºC at 760mmHg
Flash Point	444.9ºC
Vapour Pressure	7.24E-28mmHg at 25°C
Index of Refraction	1.902
LogP	-2.2
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	23
Complexity	467
Defined Atom Stereocenter Count	0
SMILES	C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)/C(=N/O)/N
InChi Key	UJSNJRHHJZOXPZ-UHFFFAOYSA-N
InChi Code	InChI=1S/C12H16N6O5/c13-9(17-22)4-1-18(11-6(4)10(14)15-3-16-11)12-8(21)7(20)5(2-19)23-12/h1,3,5,7-8,12,19-22H,2H2,(H2,13,17)(H2,14,15,16)
Chemical Name	4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxypyrrolo[2,3-d]pyrimidine-5-carboximidamide
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: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture.
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	CDK9[1]
References	[1]. Sangivamycin-like molecule 6 exhibits potent anti-multiple myeloma activity through inhibition of cyclin-dependent kinase-9. Mol Cancer Ther. 2012;11(11):2321-2330.

Solubility Data

Solubility (In Vitro)

DMSO : 170 mg/mL (524.22 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 4.25 mg/mL (13.11 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 42.5 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: ≥ 4.25 mg/mL (13.11 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 42.5 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: ≥ 4.25 mg/mL (13.11 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 42.5 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	3.0837 mL	15.4183 mL	30.8366 mL
	5 mM	0.6167 mL	3.0837 mL	6.1673 mL
	10 mM	0.3084 mL	1.5418 mL	3.0837 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.