Mrs-1220

HCID 393595

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Basic information

CAS: 183721-15-5
Standard SMILES: O=C(Cc1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12
InChIKey: TWWFAXQOKNBUCR-UHFFFAOYSA-N
Molecular formula: C21H14ClN5O2
Average molar mass: 403.8 g/mol
Monoisotopic mass: 403.0836024

Overview

N-[9-chloro-2-(2-furanyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylacetamide is a member of quinazolines.

Names & identifiers

Preferred name: Mrs-1220
IUPAC: N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylacetamide
English name: MRS 1220
Molecular formula: C21H14ClN5O2
Molecular weight: 403.82

Names & synonyms

183721-15-5MRS 1220MRS1220MRS-12209-chloro-2-(2-furyl)-5-phenylacetylamino(1,2,4)triazolo(1,5-c)quinazolineN-(9-chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-phenylacetamideN-(9-chloro-2-furan-2-yl-(1,2,4)triazolo(1,5-c)quinazolin-5-yl)-2-phenylacetamideRefChem:926180N-(9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-phenylacetamideCHEMBL88147N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylacetamideMRS1200;NSC695674

Show more names

MRS 1220 solid9-CHLORO-2-(2-FURANYL)-5-((PHENYLACETYL)AMINO)-[1,2,4]TRIAZOLO[1,5-C]QUINA9-chloro-2-(2-furanyl)-5-((phenylacetyl)amino)-[1,2,4]triazolo[1,5-c]quinazolineBenzeneacetamide, N-[9-chloro-2-(2-furanyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-9-CHLORO-2-(2-FURANYL)-5-((PHENYLACETYL)AMINO)-[1,2,4]TRIAZOLO[1,5-C]QUINA9-CHLORO-2-(2-FURANYL)-5-((PHENYLACETYL)AMINO)-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLINE

TWWFAXQOKNBUCR-UHFFFAOYSA-NMRS 1200NSC 695674Tocris-1217MRS 1220, solid9-CHLORO-2-(2-FURANYL)-5-[(PHENYLACETY)AMINO][1,2,4]-TRIAZOLO[1,5-C] QUINAZOLINEN-[9-Chloro-2-(2-furanyl)[1,2,4]-triazolo[1,5-c]quinazolin-5-yl]benzene acetamideGTPL448

Database identifiers

CAS: 183721-15-5
PubChem CID: 393595
ChEMBL: CHEMBL88147
ChEBI: CHEBI:92667
Nikkaji: J777.912G

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 85.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 29
Formal charge: 0
Complexity: 589

Physicochemical properties

Density: 1.49 · 1.49±0.1 g/cm3(Predicted)
storage temp.: Store at RT
solubility: 2 mg/mL · DMSO: 2 mg/mL
form: solid
pka: 8.17 · 8.17±0.46(Predicted)
color: white
InChI: 1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)
InChIKey: TWWFAXQOKNBUCR-UHFFFAOYSA-N
SMILES: Clc1ccc2nc(NC(=O)Cc3ccccc3)n4nc(nc4c2c1)-c5ccco5
UNSPSC Code: 12352209 · 12352209
NACRES: 77 · NA.77
PPE: 95 · Eyeshields, Gloves, type N95 (US)
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
Storage Class: 11 - Combustible Solids

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationCompounds that selectively bind to and block the activation of ADENOSINE A3 RECEPTORS.

Applications

UsesMRS 1220 is a highly potent and selective human Adenosine A3-R antagonist.

Suppliers24 total

上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]

Aladdin Scientific[email protected]

上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]

Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]

武汉易泰科技有限公司上海分公司18930552037 · [email protected]

Additional notes

DefinitionChEBI: N-[9-chloro-2-(2-furanyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylacetamide is a member of quinazolines.

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