DETA NONOate (NOC 18) is an exogenous nitric oxide (NO) donor. DETA NONOate displays sustained release and long-lasting effects of normal amounts of NO.

Physicochemical Properties

Molecular Formula	C4H13N5O2
Molecular Weight	163.18
Exact Mass	163.106
CAS #	146724-94-9
PubChem CID	135402056
Appearance	White to off-white solid powder
Density	1.5±0.1 g/cm3
Boiling Point	303.0±52.0 °C at 760 mmHg
Melting Point	98-106ºC
Flash Point	137.1±30.7 °C
Vapour Pressure	0.0±1.4 mmHg at 25°C
Index of Refraction	1.588
LogP	-1.65
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	11
Complexity	122
Defined Atom Stereocenter Count	0
SMILES	C(CN(CCN)/[N+](=N/O)/[O-])N
InChi Key	YNRCBOXEDICOIX-CLFYSBASSA-N
InChi Code	InChI=1S/C4H13N5O2/c5-1-3-8(4-2-6)9(11)7-10/h10H,1-6H2/b9-7-
Chemical Name	(Z)-[bis(2-aminoethyl)amino]-hydroxyimino-oxidoazanium
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

ln Vitro	By decreasing M's glycopeptide lipid (GPL) expression, DETA NONOate (100 μM; 16 h) stimulates the growth of the R form of the Mycobacterium abscessus complex (MABC). subspecies abscessus (Mab) of abscessus [3].
ln Vivo	In the rat formalin model, DETA NONOate (15-150 μg/rat, intracerebroventricular injection, once) shows nociceptor effects[2]. DETA NONOate (1µM) inhibits apoptotic cell death and lessens cardiac mitochondrial damage caused by ischemia or ischemia/reperfusion[4].
Animal Protocol	Animal/Disease Models: SD (Sprague-Dawley) rats (Sixty-two, male, 200-250 g)[2] Doses: 15 or 150 μg per rat Route of Administration: icv, once Experimental Results: Accelerated the nociception in a dose-dependent manner, and this acceleration was completely abolished by Methylene Blue.
References	[1]. Exogenous nitric oxide stimulates the odontogenic differentiation of rat dental pulp stem cells. Sci Rep. 2018 Feb 21;8(1):3419. [2]. A new nitric oxide donor, NOC-18, exhibits a nociceptive effect in the rat formalin model. EJ Neurol Sci. 1996 Sep 15;141(1-2):1-5. [3]. Growth medium and nitric oxide alter Mycobacterium abscessus morphotype and virulence. Microbiol Res. 2021 Dec;253:126887. [4]. Nitric Oxide Donor NOC-18-Induced Changes of Mitochondrial Phosphoproteome in Rat Cardiac Ischemia Model. Medicina (Kaunas). 2019 Sep 24;55(10):631.
Additional Infomation	1,1-bis(2-aminoethyl)-2-hydroxy-3-oxotriazane is a nitroso compound that is triazane in which the the nitrogen at position 1 is substituted by two 2-aminoethyl groups, that at position 2 is substituted by a hydroxy group, and that at position 3 is substituted by an oxo group. It has a role as a nitric oxide donor. It is a tertiary amino compound and a nitroso compound. It derives from a hydride of a triazane.

Solubility Data

Solubility (In Vitro)

H2O: 50 mg/mL (306.41 mM) DMSO: < 1 mg/mL

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *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. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	6.1282 mL	30.6410 mL	61.2820 mL
	5 mM	1.2256 mL	6.1282 mL	12.2564 mL
	10 mM	0.6128 mL	3.0641 mL	6.1282 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.