Argatroban

Superiority:

The IUPAC name of Argatroban is (2R,4R)-1-[5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid. With the CAS registry number 74863-84-6, it is also named as 2-Piperidinecarboxylic acid, 1-(5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-. The product's categories are Intermediates & Fine Chemicals; Pharmaceuticals. It is white to off-white crystalline solid.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -0.43; (4)ACD/LogD (pH 7.4): -0.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.02; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.674; (13)Molar Refractivity: 129.78 cm³; (14)Molar Volume: 345.7 cm³; (15)Polarizability: 51.45×10^-24 cm³; (16)Surface Tension: 61.6 dyne/cm; (17)Enthalpy of Vaporization: 122.18 kJ/mol; (18)Vapour Pressure: 4.23E-27 mmHg at 25°C; (19)Rotatable Bond Count: 9; (20)Tautomer Count: 2; (21)Exact Mass: 508.246789; (22)MonoIsotopic Mass: 508.246789; (23)Topological Polar Surface Area: 189; (24)Heavy Atom Count: 35; (25)Complexity: 887.

Preparation of Argatroban: It can be obtained by the following reaction.

The IUPAC name of Argatroban is (2R,4R)-1-[5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid. With the CAS registry number 74863-84-6, it is also named as 2-Piperidinecarboxylic acid, 1-(5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-. The product's categories are Intermediates & Fine Chemicals; Pharmaceuticals. It is white to off-white crystalline solid.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -0.43; (4)ACD/LogD (pH 7.4): -0.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.02; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.674; (13)Molar Refractivity: 129.78 cm³; (14)Molar Volume: 345.7 cm³; (15)Polarizability: 51.45×10^-24 cm³; (16)Surface Tension: 61.6 dyne/cm; (17)Enthalpy of Vaporization: 122.18 kJ/mol; (18)Vapour Pressure: 4.23E-27 mmHg at 25°C; (19)Rotatable Bond Count: 9; (20)Tautomer Count: 2; (21)Exact Mass: 508.246789; (22)MonoIsotopic Mass: 508.246789; (23)Topological Polar Surface Area: 189; (24)Heavy Atom Count: 35; (25)Complexity: 887.

Preparation of Argatroban: It can be obtained by the following reaction.