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Merck
CN

SML1520

GS39783

≥98% (HPLC)

Synonym(s):

GS-39783, N,N′-Dicyclopentyl-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine, N4,N6-dicyclopentyl-2-(methylthio)-5-nitro-4,6-pyrimidinediamine

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About This Item

Empirical Formula (Hill Notation):
C15H23N5O2S
CAS Number:
39069-52-8
Molecular Weight:
337.44
UNSPSC Code:
12352202
PubChem Substance ID:
329825937
MDL number:
MFCD06201849

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InChI

1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)

SMILES string

CSc1nc(NC2CCCC2)c(c(NC3CCCC3)n1)[N+]([O-])=O

InChI key

GSGVDKOCBKBMGG-UHFFFAOYSA-N

assay

≥98% (HPLC)

form

powder

color

faintly yellow to dark yellow

solubility

DMSO: 5 mg/mL, clear (warmed)

storage temp.

room temp

Biochem/physiol Actions

GS39783 is a positive allosteric modulator (PAM) of GABA-B receptors. GABAB receptor positive allosteric modulators have potential for treatment of many neuro-psychiatric disorders as well as drug dependence and seizures. The receptor is a GPCR expressed throughout the CNS; it acts as both an auto-receptor and heteroreceptor to modulate GABA release and regulate K+ channels and Ca++ channels. GS39783 has been shown to inhibit alcohol self-administration and to have an antipsychotic-like effect in animal models of addiction and schizophrenia, respectively.
Positive allosteric modulator of GABAB receptors

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
016M4731V

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