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Ogerin

CAT: 0013-GTR19156272-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156272-02Size:500 mg
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Description
Ogerin is a selective GPR68 positive allosteric modulator (pEC50: 6.83) . Ogerin blocks recall in fear conditioning in mice. Ogerin displays inverse agonist and antagonist activity (Ki, 220 nM) at A2A receptor and weak antagonist activity (Ki, 736 nM) at 5-HT2B receptor.
CAS Number
1309198-71-7
Purity
>98% (HPLC)
Solubility
DMSO:250 mg/mL (813.40 mM; Need ultrasonic)
Smiles
OCC1=C (C2=NC (N) =NC (NCC3=CC=CC=C3) =N2) C=CC=C1
Molecular Formula
C17H17N5O
Molecular Weight
307.35
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Ogerin

a GPR68 modulator; structure in first source

CAS Number1309198-71-7
PubChem CID56707820
IUPAC Name[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol
Molecular FormulaC17H17N5O
Molecular Weight307.35
XLogP2.2
Topological Polar Surface Area97
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity350
SMILES
C1=CC=C(C=C1)CNC2=NC(=NC(=N2)N)C3=CC=CC=C3CO
InChI
InChI=1S/C17H17N5O/c18-16-20-15(14-9-5-4-8-13(14)11-23)21-17(22-16)19-10-12-6-2-1-3-7-12/h1-9,23H,10-11H2,(H3,18,19,20,21,22)
InChIKey
MDGIEDNDSFMSLP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ogerin
CAS: 1309198-71-7
CID: 56707820
Formula: C17H17N5O
MW: 307.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight307.35
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass307.14331018
Monoisotopic Mass307.14331018
Topological Polar Surface Area97 Ų
Heavy Atom Count23
Formal Charge0
Complexity350
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes