AR-A 2

CAT: 0931-T10360-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T10360-03Size:100 mg

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

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CAS Number

220051-79-6

Target

Others, 5-HT Receptor

Related Pathways

GPCR/G Protein, Neuroscience, Others

Bioactivity

AR-A 2 is a selective 5-HT1B receptor antagonist with high affinity to guinea pig cortex 5-HT1B/1D and recombinant guinea pig 5-HT1B receptors (Ki: 0.24 and 0.47 nM), exhibiting a 10-fold lower affinity to guinea pig 5-HT1D receptor (Ki: 5 nM) .

Smiles

CC1=C2C(=C(C=C1)N3CCN(C)CC3)C[C@H](NC(=O)C4=CC=C(C=C4)N5CCOCC5)CC2

Molecular Formula

C27H36N4O2

Molecular Weight

448.6

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

AR-A000002

CAS Number	220051-79-6
PubChem CID	9846516
IUPAC Name	N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide
Molecular Formula	C27H36N4O2
Molecular Weight	448.6
XLogP	3.7
Topological Polar Surface Area	48.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	33
Formal Charge	0
Complexity	638

SMILES

CC1=C2CC[C@H](CC2=C(C=C1)N3CCN(CC3)C)NC(=O)C4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C27H36N4O2/c1-20-3-10-26(31-13-11-29(2)12-14-31)25-19-22(6-9-24(20)25)28-27(32)21-4-7-23(8-5-21)30-15-17-33-18-16-30/h3-5,7-8,10,22H,6,9,11-19H2,1-2H3,(H,28,32)/t22-/m1/s1

InChIKey

IHDRUIHIJWCTIY-JOCHJYFZSA-N

Chemical Structure

2D Structure

CAS: 220051-79-6

CID: 9846516

Formula: C27H36N4O2

MW: 448.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	448.6
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	448.28382640
Monoisotopic Mass	448.28382640
Topological Polar Surface Area	48.1 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	638
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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AR-A 2

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