MRS1186

CAT: 0931-T16138-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T16138-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

183721-03-1

Target

Others, Adenosine Receptor

Related Pathways

GPCR/G Protein, Neuroscience, Others

Bioactivity

MRS1186 is an effective and selective antagonist of the human Adenosine A3 receptor (Ki: 7.66 nM) .

Smiles

N(C(CC)=O)C=1N2C(C=3C(N1)=CC=C(Cl)C3)=NC(=N2)C4=CC=CO4

Molecular Formula

C16H12ClN5O2

Molecular Weight

341.75

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Mrs1186

CAS Number	183721-03-1
PubChem CID	10065929
IUPAC Name	N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanamide
Molecular Formula	C16H12ClN5O2
Molecular Weight	341.75
XLogP	2.8
Topological Polar Surface Area	85.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	481

SMILES

CCC(=O)NC1=NC2=C(C=C(C=C2)Cl)C3=NC(=NN31)C4=CC=CO4

InChI

InChI=1S/C16H12ClN5O2/c1-2-13(23)19-16-18-11-6-5-9(17)8-10(11)15-20-14(21-22(15)16)12-4-3-7-24-12/h3-8H,2H2,1H3,(H,18,19,23)

InChIKey

SPZIDRYLSXDAEF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 183721-03-1

CID: 10065929

Formula: C16H12ClN5O2

MW: 341.75

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	341.75
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	341.0679523
Monoisotopic Mass	341.0679523
Topological Polar Surface Area	85.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	481
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
GTR19204246-01	MRS1186
A16870-10	MRS1186 10mg
A16870-100	MRS1186 100mg
A16870-50	MRS1186 50mg
A16870-25	MRS1186 25mg
A16870-5	MRS1186 5mg

MRS1186

Chemical Information

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