A-317567

CAT: 0931-T14070-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T14070-02Size:50 mg

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

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CAS Number

371217-32-2

Target

Sodium Channel, Others

Related Pathways

Others, Membrane transporter/Ion channel

Bioactivity

A-317567 is a potent acid-sensing ion channel 3 (ASIC-3) inhibitor with an IC50 of 1.025 μM, exhibiting antidepressant and antinociceptive effects[1][2].

Smiles

C(C)(C)C1C2=CC(C3C(C3)C4=CC5=C(C=C4)C=C(C(=N)N)C=C5)=CC=C2CCN1C

Molecular Formula

C27H31N3

Molecular Weight

397.56

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

A-317567

acid sensing ion channel blocker; structure in first source

CAS Number	371217-32-2
PubChem CID	10200844
IUPAC Name	6-[2-(2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide
Molecular Formula	C27H31N3
Molecular Weight	397.6
XLogP	5.5
Topological Polar Surface Area	53.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	30
Formal Charge	0
Complexity	630

SMILES

CC(C)C1C2=C(CCN1C)C=CC(=C2)C3CC3C4=CC5=C(C=C4)C=C(C=C5)C(=N)N

InChI

InChI=1S/C27H31N3/c1-16(2)26-25-14-21(7-4-17(25)10-11-30(26)3)24-15-23(24)20-8-5-19-13-22(27(28)29)9-6-18(19)12-20/h4-9,12-14,16,23-24,26H,10-11,15H2,1-3H3,(H3,28,29)

InChIKey

FEPIUXBUJVISNN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 371217-32-2

CID: 10200844

Formula: C27H31N3

MW: 397.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	397.6
XLogP3	5.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	397.251798002
Monoisotopic Mass	397.251798002
Topological Polar Surface Area	53.1 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	630
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
HY-122135-01	A-317567

A-317567

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