9,12-Octadecadiynoic acid
9,12-Octadecadiynoic acid structure
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Common Name | 9,12-Octadecadiynoic acid | ||
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| CAS Number | 2012-14-8 | Molecular Weight | 276.414 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 424.0±30.0 °C at 760 mmHg | |
| Molecular Formula | C18H28O2 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 202.1±19.2 °C | |
Use of 9,12-Octadecadiynoic acidRo 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]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 9,12-Octadecadiynoic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| 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]. |
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| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 424.0±30.0 °C at 760 mmHg |
| Molecular Formula | C18H28O2 |
| Molecular Weight | 276.414 |
| Flash Point | 202.1±19.2 °C |
| Exact Mass | 276.208923 |
| PSA | 37.30000 |
| LogP | 5.75 |
| Vapour Pressure | 0.0±2.2 mmHg at 25°C |
| Index of Refraction | 1.490 |
| InChIKey | KDYILQLPKVZDGB-UHFFFAOYSA-N |
| SMILES | CCCCCC#CCC#CCCCCCCCC(=O)O |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2916190090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
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| DownStream 5 | |
![17-[1,3]dioxolan-2-yl-heptadeca-6,9-diyne Structure](https://image.chemsrc.com/caspic/005/6009-34-3.png)
CAS#:6009-34-3
CAS#:98814-47-2
CAS#:18495-27-7
CAS#:20739-58-6
CAS#:628-71-7
CAS#:1642-49-5
CAS#:24088-97-9
CAS#:54369-44-7
CAS#:1795-61-5
CAS#:544-35-4
CAS#:60-33-3
CAS#:79050-23-0![linoleic acid, [9,10,12,13-3h] structure](https://image.chemsrc.com/caspic/077/99932-94-2.png)
CAS#:99932-94-2
CAS#:62439-44-5This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916190090 |
|---|---|
| Summary | 2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Bioorthogonal mimetics of palmitoyl-CoA and myristoyl-CoA and their subsequent isolation by click chemistry and characterization by mass spectrometry reveal novel acylated host-proteins modified by HIV-1 infection.
Proteomics 15 , 2066-77, (2015) Protein acylation plays a critical role in protein localization and function. Acylation is essential for human immunodeficiency virus 1 (HIV-1) assembly and budding of HIV-1 from the plasma membrane i... |
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Arachidonic acid metabolism and modulation of in vitro anaphylaxis by 5,8,11,14-eicosatetraynoic acid and 9a,12a-octadecadiynoic acid.
Br. J. Pharmacol. 72(4) , 689-95, (1981) 1. 5,8,11,14-Eicosatetraynoic acid (ETYA) inhibited the antigen-induced contractions of tracheal spirals obtained from actively sensitized guinea-pigs. Consistent data were obtained only when the spir... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: A screen for small molecules that modulate mitochondrial supercomplex formation
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1482
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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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Name: Stabilization of p53 in human papillomavirus-positive cells
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Cellular tumor antigen p53
External Id: HMS1485
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Name: Discovering small molecule activators of G protein-gated inwardly-rectifying potassiu...
Source: 15621
Target: G protein-activated inward rectifier potassium channel 2
External Id: VANDERBILT_HTS_GIRK2_MPD
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| ODYA Ro 3-1314 |
| octadeca-9,12-diynoic acid |
| 9,12-Octadecadiynoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of 9,12-Octadecadiynoic acid? |
| A: Related upstream materials(CAS) of 9,12-Octadecadiynoic acid: 6009-34-3;98814-47-2;18495-27-7;20739-58-6;628-71-7;1642-49-5;24088-97-9;54369-44-7;1795-61-5. |
| Q: What is the molecular formula of 9,12-Octadecadiynoic acid? |
| A: Molecular formula of 9,12-Octadecadiynoic acid is C18H28O2. |
| Q: What is the boiling point of 9,12-Octadecadiynoic acid? |
| A: Boiling point of 9,12-Octadecadiynoic acid is 424.0±30.0 °C at 760 mmHg. |
| Q: What is the LogP of 9,12-Octadecadiynoic acid? |
| A: LogP of 9,12-Octadecadiynoic acid is 5.75. |
| Q: What is the SMILES notation of 9,12-Octadecadiynoic acid? |
| A: SMILES notation of 9,12-Octadecadiynoic acid is CCCCCC#CCC#CCCCCCCCC(=O)O. |
| Q: What is the polar surface area (PSA) of 9,12-Octadecadiynoic acid? |
| A: Polar surface area (PSA) of 9,12-Octadecadiynoic acid is 37.30000. |
| Q: What is the English name of 9,12-Octadecadiynoic acid? |
| A: The English name of 9,12-Octadecadiynoic acid is 9,12-Octadecadiynoic acid. |
| Q: What English synonyms does 9,12-Octadecadiynoic acid have? |
| A: English synonyms of 9,12-Octadecadiynoic acid: ODYA Ro 3-1314, octadeca-9,12-diynoic acid, 9,12-Octadecadiynoic acid. |
| Q: What is the CAS number of 9,12-Octadecadiynoic acid? |
| A: CAS number of 9,12-Octadecadiynoic acid is 2012-14-8. |
| Q: What are the downstream products of 9,12-Octadecadiynoic acid? |
| A: Related downstream products(CAS) of 9,12-Octadecadiynoic acid: 544-35-4;60-33-3;79050-23-0;99932-94-2;62439-44-5. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |