CAS 104615-18-1|CGS 15943|9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine|9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine|CGS-15943|9-Chloro-2-(2-furanyl)-[1,2,4]tr...

General Information

Structure

Molecular Formula

C₁₃H₈ClN₅O

Molecular Mass

285.68852

Exact Mass

285.04173758

Charge

InChI

InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)

InChIKey

MSJODEOZODDVGW-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1

Isomeric Smiles

Nc1nc2ccc(Cl)cc2c2nc(nn12)c1ccco1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.3721676

LogD (pH = 7.4)

3.372178

Log P

3.3721783

Molar Refractivity

95.8064

Polarizability

29.187017

Polar Surface Area

82.24

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

CGS 15943CGS-159439-Chloro-2-(2-furanyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amineCGS-15943

IUPAC name

9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

IUPAC Traditional name

9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

Names and Identifiers

Registration numbers

CAS Number

Wikipedia Title

CHEMBL

Chemspider ID

PubChem CID

PubChem SID

MDL Number

Registration numbers

Properties

Product Information

Certificate of Analysis

Download link

Purity

≥98% (HPLC)

Safety Information

MSDS Link

Download link

Storage Condition

Room Temperature (15-30°C)

room temp

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

Uncontrolled

human ... ADORA1(134), ADORA2A(135), ADORA2B(136), ADORA3(140)rat ... Adora1(29290), Adora2a(25369), Adora2b(29316)

Physical Property

DMSO: >10 mg/mL

H2O: insoluble

white solid

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Wikipedia

CGS-15943

Sigma Aldrich

C199

Biochem/physiol Actions
Highly potent, non-selective adenosine receptor antagonist.

MP Biomedicals

02193630

Potent, selective A₁ -Adenosine receptor antagonist.

Molecule Details

References

PubChem Literature

From Data Sources

• Jarvis, et al., Mol. Pharmacol. , 39 : 49 (1990).

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Academic Data

Commercial Catalog

Names and Identifiers

Synonyms

CGS 15943CGS-159439-Chloro-2-(2-furanyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amineCGS-15943

IUPAC name

9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

IUPAC Traditional name

9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

Registration numbers

CAS Number

Wikipedia Title

CHEMBL

Chemspider ID

PubChem CID

PubChem SID

MDL Number

Molecule Details

C199

Biochem/physiol Actions
Highly potent, non-selective adenosine receptor antagonist.

MP Biomedicals

02193630

Potent, selective A₁ -Adenosine receptor antagonist.

References

PubChem Literature

From Data Sources

• Jarvis, et al., Mol. Pharmacol. , 39 : 49 (1990).

Bioactivity

PubChem BioAssay

Properties

Product Information

Certificate of Analysis

Download link

Purity

≥98% (HPLC)

Safety Information

MSDS Link

Download link

Storage Condition

Room Temperature (15-30°C)

room temp

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

Uncontrolled

human ... ADORA1(134), ADORA2A(135), ADORA2B(136), ADORA3(140)rat ... Adora1(29290), Adora2a(25369), Adora2b(29316)

Physical Property

DMSO: >10 mg/mL

H2O: insoluble

white solid

Molecule

ID:105639