Home >> Chemicals Listing >> hot product list by B  

Bicyclo[3.1.0]hexane-2,6-dicarboxylicacid, 2-amino-, (1S,2S,5R,6S)- (176199-48-7)

Identification
Name:Bicyclo[3.1.0]hexane-2,6-dicarboxylicacid, 2-amino-, (1S,2S,5R,6S)-
Synonyms:Bicyclo[3.1.0]hexane-2,6-dicarboxylicacid, 2-amino-, [1S-(1a,2b,5a,6a)]-;Eglumegad;Eglumetad;LY 354740;
CAS:176199-48-7
Molecular Formula: C8H11NO4
Molecular Weight: 185.17724
InChI: InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
Molecular Structure: (C8H11NO4) Bicyclo[3.1.0]hexane-2,6-dicarboxylicacid, 2-amino-, [1S-(1a,2b,5a,6a)]-;Eglumegad;Eglumetad;LY 3547...
Properties
Density:1.569
Refractive index:1.619
Specification:

The Eglumegad, with the CAS registry number 176199-48-7, has the systematic name of (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid. It belongs to the product categories of Cyclopentane and Glutamate. And the molecular formula of the chemical is C8H11NO4.

The characteristics of this chemical are as followings: (1)ACD/LogP: -1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 55.84 Å2; (11)Index of Refraction: 1.619; (12)Molar Refractivity: 41.39 cm3; (13)Molar Volume: 117.9 cm3; (14)Polarizability: 16.41×10-24cm3; (15)Surface Tension: 82.5 dyne/cm; (16)Density: 1.569 g/cm3; (17)Flash Point: 181.4 °C; (18)Enthalpy of Vaporization: 68.52 kJ/mol; (19)Boiling Point: 376.4 °C at 760 mmHg; (20)Vapour Pressure: 1.06E-06 mmHg at 25°C.    

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC)CC(CC)C
(2)InChI: InChI=1/C8H16O2/c1-4-7(3)6-8(9)10-5-2/h7H,4-6H2,1-3H3
(3)InChIKey: TXAWGHYFBQBVNK-UHFFFAOYAL

Biological Activity: Highly selective and potent agonist of group II mGlu receptors (EC 50 values are 5.1 and 24.3 nM at mGlu 2 and mGlu 3 receptors respectively and > 100000 nM at mGlu 4 , mGlu 7 , mGlu 1a and mGlu 5a receptors). Displays antianxiety and antiaddictive activity in vivo . Orally and systemically active.
Safety Data
 

Other Product