SNC 80

CAT: 0931-T8414-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0931-T8414-02Size:2 mg

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

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CAS Number

156727-74-1

Target

Opioid Receptor

Related Pathways

GPCR/G Protein, Endocrinology/Hormones, Neuroscience

Purity

0.9965

Bioactivity

SNC 80 (NIH 10815) is a potent, highly selective and non-peptide δ-opioid receptor agonist, Ki = 1.78 nM, IC50 = 2.73 nM. SNC80 also selectively activates μ-δ heteromer in HEK293 cells with an EC50 of 52.8 nM. SNC80 shows antinociceptive, antihyperalgesic and antidepressant‐like effects. SNC80 has the potential for multiple headache disorders treatment.

Smiles

CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1

Molecular Formula

C28H39N3O2

Molecular Weight

449.63

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Snc 80

4-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide is a diarylmethane.

CAS Number	156727-74-1
PubChem CID	123924
IUPAC Name	4-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide
Molecular Formula	C28H39N3O2
Molecular Weight	449.6
XLogP	4.9
Topological Polar Surface Area	36
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Heavy Atom Count	33
Formal Charge	0
Complexity	614

SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)[C@H](C2=CC(=CC=C2)OC)N3C[C@H](N(C[C@@H]3C)CC=C)C

InChI

InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1

InChIKey

KQWVAUSXZDRQPZ-UMTXDNHDSA-N

Chemical Structure

2D Structure

CAS: 156727-74-1

CID: 123924

Formula: C28H39N3O2

MW: 449.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	449.6
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	449.30422750
Monoisotopic Mass	449.30422750
Topological Polar Surface Area	36 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	614
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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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SNC 80

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