CAS Number532-12-7
SynonymsPrestwick_202; 3-(4,5-dihydro-3H-pyrrol-2-yl)-pyridine; dehydronornicotine; 3-(3,4-Dihydro-2H-pyrrol-5-yl)pyridine; MFCD00052019; 3-(1-Pyrrolin-2-yl)pyridine; Myosmine; Pyridine,3-(3,4-dihydro-2H-pyrrol-5-yl)
Molecular FormulaC9H10N2
Molecular Weight146.19
Purity≥98%
Density1.1±0.1 g/cm3
Boiling Point244.7±22.0 °C at 760 mmHg
Melting Point42-44°C
Appearancesolid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 532-12-7 |
| Catalog No. | 2A-9061456 |
| Chinese Name | 麦斯明 |
| Synonyms | Prestwick_202; 3-(4,5-dihydro-3H-pyrrol-2-yl)-pyridine; dehydronornicotine; 3-(3,4-Dihydro-2H-pyrrol-5-yl)pyridine; MFCD00052019; 3-(1-Pyrrolin-2-yl)pyridine; Myosmine; Pyridine,3-(3,4-dihydro-2H-pyrrol-5-yl) |
| Molecular Formula | C9H10N2 |
| Molecular Weight | 146.19 |
| Purity | ≥98 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 244.7±22.0 °C at 760 mmHg |
| Melting Point | 42-44°C |
| Appearance | solid |
| Storage Condition | Store in a cool, dry, well-ventilated warehouse. K |
| Application | Myosmine is a specific tobacco alkaloid found in nuts and nut products that has low affinity for the a4b2 nicotinic acetylcholine receptor (nAChR) with a Ki value of 3300 nM. |
| HTC | 2933990090 |
| PubChem ID | 24897288 |
| MDL Number | MFCD00052019 |
| SMILES | C1CN=C(C1)c2cccnc2 |
| InChI | 1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2 |
| InChI Key | DPNGWXJMIILTBS-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| MSDS | msds/61456_1_532_12_7.pdf |
| Use of | Myosmine, a specific tobacco alkaloid in nuts and nut products, has low affinity for a4b2 nicotinic acetylcholinergic receptors (nAChR) with a Ki of 3300 nM[1][2]. Properties Articles27 Name 3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine Synonym More Synonyms Myosmine Biological Activity Description Myosmine, a specific tobacco alkaloid in nuts and nut products, has low affinity for a4b2 nicotinic acetylcholinergic receptors (nAChR) with a Ki of 3300 nM[1][2]. Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> nAChR Signaling Pathways >> Neuronal Signaling >> nAChR Research Areas >> Metabolic Disease Ki: 3300 nM (a4b2 nAChR) and >10 µM (AT1)[1] In Vitro Myosmine is easily nitrosated, yielding 4-hydroxy-1-(3-pyridyl)-1-butanone (HPB) and the esophageal tobacco carcinogen N'-nitrosonornicotine[2]. References [1]. G Ferretti, er al. Binding of Nicotine and Homoazanicotine Analogues at Neuronal Nicotinic Acetylcholinergic (nACh) Receptors. Bioorg Med Chem Lett. 2003 Feb 24;13(4):733-5. [2]. Wolfgang Zwickenpflug, et al. Metabolism of Myosmine in Wistar Rats. Drug Metab Dispos. 2005 Nov;33(11):1648-56. Chemical & Physical Properties Molecular Formula C9H10N2 Exact Mass 146.084396 PSA 25.25000 LogP -0.63 Index of Refraction 1.611 InChIKey DPNGWXJMIILTBS-UHFFFAOYSA-N Stability Moisture, Temperature Sensitive Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Pyridine, 3-(1-pyrrolin-2-yl)- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T6NJ C- BT5N AUTJ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold REFERENCE : Safety Information Signal Word Warning Hazard Statements H302-H315-H319-H335 Precautionary Statements P261-P305 + P351 + P338 Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves Hazard Codes Xn Risk Phrases R22 Safety Phrases S26-S36 RIDADR NONH for all modes of transport WGK Germany 3 RTECS UT7660000 HS Code 2933990090 Synthetic Route Methyl nicotina... 1-(but-1-enyl) ... 117593-76-7 Literature: Divi's Laboratories Limited Patent: EP2487172 A1, 2012 ; Location in patent: Page/Page column 5 ; 1308392-26-8 Literature: Divi's Laboratories Limited Patent: EP2487172 A1, 2012 ; Location in patent: Page/Page column 4 ; 4-oxo-4-pyridin... 36740-10-0 Literature: Mahboobi; Wiegrebe Archiv der Pharmazie, 1988 , vol. 321, # 3 p. 175 - 177 Precursor & DownStream Precursor 8 CAS#:93-60-7 Methyl nicotinate CAS#:36740-10-0 4-oxo-4-pyridin... CAS#:123-75-1 Pyrrolidine CAS#:1120-90-7 3-Iodopyridine DownStream 8 CAS#:59578-62-0 4-Hydroxy-1-(Py... CAS#:80508-23-2 rac N'-Nitroson... CAS#:5746-86-1 (±)-Nornicotine CAS#:1772-29-8 4-piperidin-3-y... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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