Ro 3-1314

CAT: 0804-HY-N8276Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-N8276Size:1 mg

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Description

Ro 3-1314 (9a,12a-Octadecadiynoic acid) is a plant lipoxygenase inhibitor. Ro 3-1314 is a linoleic acid metabolism inhibitor. Ro 3-1314 stimulates the antigen-induced contraction of guinea-pig tracheal spirals and the immunological release of slow reacting substance of anaphylaxis (SRS-A) from actively sensitized guinea-pig lung fragments[1].

CAS Number

2012-14-8

Product Name Alternative

9a,12a-Octadecadiynoic acid

UNSPSC

12352211

Target

Lipoxygenase

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Applications

Metabolism-sugar/lipid metabolism

Field of Research

Metabolic Disease; Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/ro-3-1314.html

Purity

99.0

Solubility

10 mM in DMSO

Smiles

O=C(CCCCCCCC#CCC#CCCCCC)O

Molecular Formula

C18H28O2

Molecular Weight

276.41

References & Citations

[1]M Hitchcock, et al. Arachidonic acid metabolism and modulation of in vitro anaphylaxis by 5,8,11,14-eicosatetraynoic acid and 9a,12a-octadecadiynoic acid. Br J Pharmacol. 1981 Apr;72 (4) :689-95.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C, 3 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

9,12-Octadecadiynoic acid

Octadeca-9,12-diynoic acid is an octadecadiynoic acid having its triple bonds at positions 9 and 12.

CAS Number	2012-14-8
PubChem CID	1931
IUPAC Name	octadeca-9,12-diynoic acid
Molecular Formula	C18H28O2
Molecular Weight	276.4
XLogP	6.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	10
Heavy Atom Count	20
Formal Charge	0
Complexity	369

SMILES

CCCCCC#CCC#CCCCCCCCC(=O)O

InChI

InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,8,11-17H2,1H3,(H,19,20)

InChIKey

KDYILQLPKVZDGB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2012-14-8

CID: 1931

Formula: C18H28O2

MW: 276.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	276.4
XLogP3	6.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	10
Exact Mass	276.208930132
Monoisotopic Mass	276.208930132
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	369
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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Ro 3-1314

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