GP-1681

CAT: 0013-GTR19198401-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19198401-02Size:100 mg

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

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Description

GP-1681 is a small molecule agonist of a G-protein coupled receptor (GPCR) with research potential for influenza therapy. Studies indicate it may modulate host immune responses, and it is utilized in both in vitro assays and in vivo animal models to investigate antiviral mechanisms.

CAS Number

1290611-29-8

Smiles

CC#CCC (C) [C@@H] (/C=C/[C@H]1[C@@H] (C[C@H]2[C@@H]1C3=CC=CC (=C3O2) CCCC (=O) [O-]) O) O.[Na+]

Molecular Formula

C24H30NaO5

Molecular Weight

421.48

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Beraprost Sodium

Beraprost sodium is the organic sodium salt of beraprost. It is used in the treatment of chronic arterial occlusive disease and primary pulmonary hypertension in Japan. It has a role as a vasodilator agent, an antihypertensive agent, a platelet aggregation inhibitor, a prostaglandin receptor agonist and an anti-inflammatory agent. It contains a beraprost(1-).

CAS Number	1290611-29-8
PubChem CID	23663404
IUPAC Name	sodium 4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate
Molecular Formula	C24H29NaO5
Molecular Weight	420.5
Topological Polar Surface Area	89.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	30
Formal Charge	0
Complexity	665

SMILES

CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C3=CC=CC(=C3O2)CCCC(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C24H30O5.Na/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28;/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28);/q;+1/p-1/b13-12+;/t15?,17-,19+,20+,21-,23-;/m0./s1

InChIKey

YTCZZXIRLARSET-VJRSQJMHSA-M

Chemical Structure

2D Structure

CAS: 1290611-29-8

CID: 23663404

Formula: C24H29NaO5

MW: 420.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	420.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	420.19126830
Monoisotopic Mass	420.19126830
Topological Polar Surface Area	89.8 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	665
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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