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CGP 55845

CAT: 0013-GTR19209657-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209657-03Size:100 mg
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Description
CGP 55845 is a potent and selective GABAB receptor antagonist with a pKi of 8.35, effectively blocking agonist binding. It inhibits the release of GABA and glutamate, demonstrated by pEC50 values of 8.08 and 7.85, respectively. This compound is widely used in neuroscience research to study synaptic transmission and neurotransmitter release in both in vitro and in vivo models.
CAS Number
150175-54-5
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
[C@H] (NC[C@@H] (CP (CC1=CC=CC=C1) (=O) O) O) (C) C2=CC (Cl) =C (Cl) C=C2
Molecular Formula
C18H22Cl2NO3P
Molecular Weight
402.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cgp 55845

[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]-(phenylmethyl)phosphinic acid is a dichlorobenzene.

CAS Number150175-54-5
PubChem CID5311042
IUPAC Namebenzyl-[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]phosphinic acid
Molecular FormulaC18H22Cl2NO3P
Molecular Weight402.2
XLogP0.2
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity448
SMILES
C[C@@H](C1=CC(=C(C=C1)Cl)Cl)NC[C@@H](CP(=O)(CC2=CC=CC=C2)O)O
InChI
InChI=1S/C18H22Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h2-9,13,16,21-22H,10-12H2,1H3,(H,23,24)/t13-,16-/m0/s1
InChIKey
ZODSPDOOCZZEIM-BBRMVZONSA-N
Chemical Structure
2D Structure
2D structure of Cgp 55845
CAS: 150175-54-5
CID: 5311042
Formula: C18H22Cl2NO3P
MW: 402.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.2
XLogP30.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass401.0714359
Monoisotopic Mass401.0714359
Topological Polar Surface Area69.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity448
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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