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YM 230888

CAT: 0013-GTR19200671-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200671-02Size:50 mg
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Description
This small molecule is a selective antagonist of the metabotropic glutamate receptor 1 (mGlu1) . It is a valuable research tool for investigating the role of mGlu1 in neurological disorders, including pain, addiction, and neurodegenerative diseases, in both in vitro and in vivo experimental models.
CAS Number
446257-23-4
Field of Research
Neuroscience
Smiles
N (C1=C2C (SC (CNC[C@H]3CCCO3) =C2) =NC=N1) C4CCCCCC4
Molecular Formula
C19H28N4OS
Molecular Weight
360.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CAS Number446257-23-4
PubChem CID11682007
IUPAC NameN-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
Molecular FormulaC19H28N4OS
Molecular Weight360.5
XLogP4
Topological Polar Surface Area87.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity405
SMILES
C1CCCC(CC1)NC2=C3C=C(SC3=NC=N2)CNC[C@H]4CCCO4
InChI
InChI=1S/C19H28N4OS/c1-2-4-7-14(6-3-1)23-18-17-10-16(25-19(17)22-13-21-18)12-20-11-15-8-5-9-24-15/h10,13-15,20H,1-9,11-12H2,(H,21,22,23)/t15-/m1/s1
InChIKey
SASNRPJKZVJWQW-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of N-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CAS: 446257-23-4
CID: 11682007
Formula: C19H28N4OS
MW: 360.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass360.19838270
Monoisotopic Mass360.19838270
Topological Polar Surface Area87.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity405
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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