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AIM-102

CAT: 0013-GTR19198281-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198281-01Size:25 mg
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Description
AIM-102 is a nonsteroidal immunomodulator with anti-inflammatory properties, investigated as a potential therapeutic for allergic asthma. Research applications include in vitro studies on immune cell signaling and in vivo models of airway inflammation and hyperresponsiveness.
CAS Number
551936-17-5
Smiles
[C@H] (NC ([C@@H] (CC1CCCCC1) N) =O) (C (NCC (O) =O) =O) CCC (O) =O
Molecular Formula
C16H27N3O6
Molecular Weight
357.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

D-Cyclohexylalanine-D-glutamateglycine

AIM-102 is under investigation in clinical trial NCT01501942 (Efficacy, Safety, Tolerability, Pharmacodynamics and Pharmacokinetics of Oral Administration of AIM-102 in Patients With Mild to Moderate Allergic Asthma).

CAS Number551936-17-5
PubChem CID10126114
IUPAC Name(4R)-4-[[(2R)-2-amino-3-cyclohexylpropanoyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid
Molecular FormulaC16H27N3O6
Molecular Weight357.40
XLogP-1.7
Topological Polar Surface Area159
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count25
Formal Charge0
Complexity490
SMILES
C1CCC(CC1)C[C@H](C(=O)N[C@H](CCC(=O)O)C(=O)NCC(=O)O)N
InChI
InChI=1S/C16H27N3O6/c17-11(8-10-4-2-1-3-5-10)15(24)19-12(6-7-13(20)21)16(25)18-9-14(22)23/h10-12H,1-9,17H2,(H,18,25)(H,19,24)(H,20,21)(H,22,23)/t11-,12-/m1/s1
InChIKey
CNDMSQXUUIBFPE-VXGBXAGGSA-N
Chemical Structure
2D Structure
2D structure of D-Cyclohexylalanine-D-glutamateglycine
CAS: 551936-17-5
CID: 10126114
Formula: C16H27N3O6
MW: 357.40
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.40
XLogP3-1.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass357.18998559
Monoisotopic Mass357.18998559
Topological Polar Surface Area159 Ų
Heavy Atom Count25
Formal Charge0
Complexity490
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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