CAS No.330600-85-6,(1S,2R,3R,4R)-3-(1-acetamido-2-ethyl-butyl)-4-(diaminomethylideneamino)-2-hydroxy-cyclopentane-1-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	330600-85-6
Name:	(1S,2R,3R,4R)-3-(1-acetamido-2-ethyl-butyl)-4-(diaminomethylideneamino)-2-hydroxy-cyclopentane-1-carboxylic acid

Formula:	C₁₅H₂₈N₄O₄
Molecular Weight:	328.40722
Synonyms:	3-(1'-acetylamino-2'-ethyl)butyl-4-((aminoimino)methyl)amino-2-hydroxycyclopentane-1-carboxylic acid;
Density:	1.39 g/cm³
PSA:	151.03000
LogP:	1.44240

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Specification

1. Introduction of Peramivir
Peramivir is a new antiviral agent for influenza treatment. The IUPAC name of this chemical is called (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid. Peramivir belongs to Amines; Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's classification codes are Influenza Treatment; Neuroaminidase inhibitor; Treatment and prevention of influenza A and B viruses. It which is also known as Cyclopentanecarboxylic acid, 3-((1S)-1-(acetylamino)-2-ethylbutyl)-4-((aminoiminomethyl)amino)-2-hydroxy-, (1S,2S,3R,4R)- can freely soluble in water.

2. Properties of Peramivir
Physical properties about Peramivir are:
(1)ACD/LogP: -0.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.35; (4)ACD/LogD (pH 7.4): -3.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.613; (13)Molar Refractivity: 81.91 cm³; (14)Molar Volume: 235 cm³; (15)Surface Tension: 52.4 dyne/cm; (16)Density: 1.39 g/cm³.

3. Structure Descriptors of Peramivir
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(CC)C(C1C(CC(C1O)C(=O)O)N=C(N)N)NC(=O)C
(2)Isomeric SMILES: CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)N=C(N)N)NC(=O)C
(3)InChI: InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1
(4)InChIKey: XRQDFNLINLXZLB-CKIKVBCHSA-N
(5)Smiles: C1[C@H]([C@@H]([C@@H]([C@H]1C(=O)O)O)[C@H](C(CC)CC)NC(=O)C)NC(=N)N

4. Uses of Peramivir
Peramivir is an experimental antiviral drug developed by BioCryst Pharmaceuticals for the treatment of influenza. Peramivir is a neuraminidase inhibitor, acting as a transition-state analogue inhibitor of influenza neuraminidase and thereby preventing new viruses from emerging from infected cells. In October 2009, it was reported that the experimental antiviral drug peramivir had been effective in treating serious cases of swine flu. On October 23, the U.S. Food and Drug Administration (FDA) issued an Emergency Use Authorization for Peramivir, allowing the use of the drug in intravenous form for hospitalized patients only in cases where the other available methods of treatment are ineffective or unavailable; for instance, if oseltamivir (Tamiflu) resistance develops and a person is unable to take Relenza via the inhaled route. Peramivir is currently the only intravenous option for treating swine flu.