Danegaptide hydrochloride (GAP-134 and ZP-1609) is a novel, potent, selective and orally bioavailable small molecule gap-junction modifier with a potential for the treatment of atrial fibrillation.

Physicochemical Properties

Molecular Formula	C14H18CLN3O4
Molecular Weight	327.7634
Exact Mass	327.099
CAS #	943133-81-1
Related CAS #	Danegaptide;943134-39-2
PubChem CID	44563896
Appearance	White to off-white solid powder
LogP	1.444
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	22
Complexity	420
Defined Atom Stereocenter Count	2
SMILES	C1[C@H](CN([C@@H]1C(=O)O)C(=O)CN)NC(=O)C2=CC=CC=C2.Cl
InChi Key	AHXPMNACLWKFRQ-DHXVBOOMSA-N
InChi Code	InChI=1S/C14H17N3O4.ClH/c15-7-12(18)17-8-10(6-11(17)14(20)21)16-13(19)9-4-2-1-3-5-9;/h1-5,10-11H,6-8,15H2,(H,16,19)(H,20,21);1H/t10-,11+;/m1./s1
Chemical Name	(4R)-Glycyl-4-(benzoylamino)-L-proline hydrochloride
Synonyms	Danegaptide GAP-134 HCl GAP-134-HCl GAP134HCl GAP 134 HCl GAP134 hydrochloride GAP-134 hydrochloride
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: Please store this product in a sealed and protected environment, 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

ln Vitro	Danegaptide (GAP-134, Compound 9f; 0.01 nM-100 μM) is designed to decrease dye food in C6 neuroastroma cells that have been cultivated [1].
ln Vivo	The effectiveness of diengaptide (GAP-134, compound 9f) was assessed in vivo using a CaCl2 mouse model. Danegaptide (GAP-134) is bioactive and decreases atrial fibrillation in a dog model. Danegaptide (GAP-134) in rats at a mean heart rate concentration of 250 nM considerably prolongs the ischemia state following infusion of CaCl2[1]. Heart rate, arterial blood pressure, and other electrocardiogram (ECG) parameters are unaffected by danegaptide. Danegaptide is a strong antiarrhythmic drug that causes arrhythmias brought on by reperfusion or cardiovascular disease in beagle dogs who have been given a barbiturate and made unconscious [2].
References	[1]. Discovery of (2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxylic acid hydrochloride (GAP-134)13, an orally active small molecule gap-junction modifier for the treatment of atrial fibrillation. J Med Chem. 2009 Feb 26;52(4):908-11. [2]. Pharmacological modulation of connexin-formed channels in cardiac pathophysiology. Br J Pharmacol. 2011 Jun;163(3):469-83.

Solubility Data

Solubility (In Vitro)	DMSO : ≥ 55 mg/mL (~167.81 mM) H2O : ≥ 50 mg/mL (~152.55 mM)
Solubility (In Vivo)	Solubility in Formulation 1: 100 mg/mL (305.10 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.0510 mL	15.2551 mL	30.5101 mL
	5 mM	0.6102 mL	3.0510 mL	6.1020 mL
	10 mM	0.3051 mL	1.5255 mL	3.0510 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.