CCCI-01 is a centrosome cluster inhibitor. CCCI-01 has selective effects on cancer. CCCI-01 may be utilized to study non-cross-resistant anti-cancer drugs that block centrosome clustering.

Physicochemical Properties

Molecular Formula	C11H9N3O4
Molecular Weight	247.21
Exact Mass	247.059
Elemental Analysis	C, 53.44; H, 3.67; N, 17.00; O, 25.89
CAS #	215778-97-5
PubChem CID	693996
Appearance	Solid powder
LogP	2.426
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	18
Complexity	318
Defined Atom Stereocenter Count	0
SMILES	O=[N+](C1=CC=C(C(NCC2=CC=CN=C2)=O)O1)[O-]
InChi Key	OBZHOVWNZIVCCZ-UHFFFAOYSA-N
InChi Code	InChI=1S/C11H9N3O4/c15-11(9-3-4-10(18-9)14(16)17)13-7-8-2-1-5-12-6-8/h1-6H,7H2,(H,13,15)
Chemical Name	5-nitro-N-(pyridin-3-ylmethyl)furan-2-carboxamide
Synonyms	CCCI01; CCCI 01; CCCI-01
HS Tariff Code	2934.99.03.00
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

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~404.51 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (10.11 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 25.0 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: ≥ 2.5 mg/mL (10.11 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 25.0 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: ≥ 2.5 mg/mL (10.11 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 25.0 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	4.0451 mL	20.2257 mL	40.4514 mL
	5 mM	0.8090 mL	4.0451 mL	8.0903 mL
	10 mM	0.4045 mL	2.0226 mL	4.0451 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.