Myosmine - ≥98% , CAS No.532-12-7

CAS: 532-12-7 Cat. No.: M342525 Formule: C₉H₁₀N₂ Poids moléculaire: 146.19 Beilstein Registry Number: 119254 Numéro CE: 637-297-7

GRADE & PURITY ≥98%

Synonyms

9O0A545W4L | HY-W001909 | Pyridine, 3-(1-pyrrolin-2-yl)- | BPBio1_000719 | Prestwick2_000647 | 3-(1-Pyrrolin-2-yl)pyridine, 8CI | BDBM50125053 | KBio2_004178 | STL554354 | 1-AMINO-CYCLOPENT-3-ENECARBOXYLICACID | 3-(3,4-Dihydro-2H-pyrrol-5-yl)pyridine, 9CI

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Product Description

Myosmine is a minor tobacco alkaloid which has been shown to possess genotoxic effects on cells through DNA damage by pyridyloxobutylation. Studies indicate that in cells Myosmine can be activated into reactive intermediates by H|2|O|2| and 3-morpholinosydnonimine . It is known that under acidic pH Myosmine undergoes a ring-chain tautomerism and is present in the amino-keto form. Furthermore, Myosmine is an ideal tool to use to monitor the effects of tobacco smoke on cells.

Product Application
Nitrosation reactions；Peroxidation reaction with hydrogen peroxide

Specifications

Synonymes

9O0A545W4L | HY-W001909 | Pyridine, 3-(1-pyrrolin-2-yl)- | BPBio1_000719 | Prestwick2_000647 | 3-(1-Pyrrolin-2-yl)pyridine, 8CI | BDBM50125053 | KBio2_004178 | STL554354 | 1-AMINO-CYCLOPENT-3-ENECARBOXYLICACID | 3-(3,4-Dihydro-2H-pyrrol-5-yl)pyridine, 9CI

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504758787
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758787
• Sourires canoniques: C1CC(=NC1)C2=CN=CC=C2
• IUPAC Name: 3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine
• InChIKey: DPNGWXJMIILTBS-UHFFFAOYSA-N
• INCHI: 1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2
• Isomères SMILES: C1CC(=NC1)C2=CN=CC=C2
• RTECS: UT7660000
• Poids moléculaire: 146.19
• Beilstein: 119254
• Reaxy-Rn: 119254
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=119254&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Pyrrolines Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Pyrroline - Ketimine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Imine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• External Descriptors: Pyridine alkaloids

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

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CHRNB2 Tclin Neuronal acetylcholine receptor; alpha4/beta2 (3972 Activities)

Discover Target: CHRNB2

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Cibles associées (non humaines)

Musca domestica (713 Activities)

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nAChRalpha5 Nicotinic acetylcholine receptor alpha 5 subunit (134 Activities)

Discover Target: nAChRalpha5

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Nicotinic acetylcholine receptor alpha8 subunit (79 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Ether, Ethyl Acetate, Methanol and Water
• Point de fusion (°C): 42-44° C
• Poids moléculaire: 146.190 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 146.084 Da
• Monoisotopic Mass: 146.084 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 163.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Références

1. Chencheng Dai, Yiwei Cao, Yiran Xu, Moyuan Li, Guangquan Liu, Sujuan Xu, Nuo Ye, Changxiang Shi, Tiantian Fan, Pengfei Xu, Xuemei Jia.  (2026)  Serum metabolic fingerprinting for diagnosis and therapeutic applications of ovarian endometriosis.  iScience,  29  (3):   [PMID:41743236] [10.1016/j.isci.2026.114887]