2-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine

HCID 176408
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
160098-96-4
Standard SMILES
Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccco3)nn12
InChIKey
UTLPKQYUXOEJIL-UHFFFAOYSA-N
Molecular formula
C18H15N7O
Average molar mass
345.4 g/mol
Monoisotopic mass
345.1338081

Overview

LSM-3822 is a member of triazolopyrimidines.

Names & identifiers

Preferred name
2-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine
IUPAC
4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
English name
SCH 58261
Molecular formula
C18H15N7O
Molecular weight
345.36

Names & synonyms

Sch 58261160098-96-4Sch582614309023MAHDTXSID801667992-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine5-Amino-7-(2-phenylethyl)-2-(2-furyl)-pyrazolo(4,3-e)-1,2,4-triazolo(1,5-c)pyrimidine4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-7-amine2-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexaazatricyclo(7.3.0.0^(2,6))dodeca-1(9),2,4,7,11-pentaen-7-amineRefChem:884671DTXCID8089290
Show more names
CS-2187SCH58261 ，S8104SCH 58261, 10 mM in DMSOSCH-58261, A2A antagonistButanoicacid,4-bromo-5-oxo-,ethylesterInhibitor,inhibit,SCH-58261,Adenosine Receptor,SCH 58261,P1 receptor2-(Furan-2-yl)-7-(2-phenylethyl)-7H-pyrazolo[4,3-e][1,2,4]-triazolo[1,5-c]pyrimidin-5-ylamine
836-097-9Sch-582612-(Furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amineMFCD00933778CHEMBL17127BDBM500484667-(2-phenylethyl)-5-amino-2-(2-furyl)-pyrazolo-[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine7H-Pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine, 2-(2-furanyl)-7-(2-phenylethyl)-

Database identifiers

CAS
160098-96-4
PubChem CID
176408
DTXSID
DTXSID80166799
ChEMBL
CHEMBL17127
ChEBI
CHEBI:93424
UNII
4309023MAH
EC Number
836-097-9
Nikkaji
J739.693G

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
100 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
26

Physicochemical properties

Melting point
223 °C · 223 °C
Density
1.54 · 1.54±0.1 g/cm3(Predicted)
storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C
solubility
10 mg/mL, · DMSO: >10 mg/mL, soluble
form
solid
pka
2.78 · 2.78±0.30(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
2934.99.3000
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.

Compounds that selectively bind to and block the activation of ADENOSINE A2 RECEPTORS.

Applications

UsesSCH 58261 is a potent and selective A2A adenosine receptor antagonist.

Upstream & downstream products

Suppliers94 total

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Additional notes

DefinitionChEBI: LSM-3822 is a member of triazolopyrimidines.

Related reactions

1 records
New reaction record

Compound notes

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