Sinomenine Hydrochloride - Moligand™, ≥97% , CAS No.6080-33-7

CAS: 6080-33-7 Cat. No.: S105956 Peso molecular: 365.85 Número EC: 683-119-6 PubChem CID: 5464452

GRADE & PURITY Moligand™, ≥97%

Synonyms

Sabianine A hydrochloride | UNII-ZL8HD4RP5B | Q27254812 | S0926 | NSC76021 | 9alpha,13alpha,14alpha -7,8-Didehydro-4-hydroxy-3,7-dimethoxy-17-methylmorphinan-6-one hydrochloride | 7,8-Didehydro-3,7-dimethoxy-4-hydroxy-17-methyl-9-alpha,13-alpha,14-alpha-m

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Sabianine A hydrochloride | UNII-ZL8HD4RP5B | Q27254812 | S0926 | NSC76021 | 9alpha, 13alpha, 14alpha -7, 8-Didehydro-4-hydroxy-3, 7-dimethoxy-17-methylmorphinan-6-one hydrochloride | 7, 8-Didehydro-3, 7-dimethoxy-4-hydroxy-17-methyl-9-alpha, 13-alpha, 14-alpha-m

Especificaciones y pureza

Moligand™, ≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504763849
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763849
• Sonrisas canónicas: CN1CCC23CC(=O)C(=CC2C1CC4=C3C(=C(C=C4)OC)O)OC.Cl
• IUPAC Name: (1R,9S,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one;hydrochloride
• InChIKey: YMEVIMJAUHZFMW-VUIDNZEBSA-N
• INCHI: 1S/C19H23NO4.ClH/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19;/h4-5,9,12-13,22H,6-8,10H2,1-3H3;1H/t12-,13+,19-;/m1./s1
• Isómeros SMILES: CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC.Cl
• WGK Alemania: 3
• RTECS: QD2170000
• CAS alternativo: 115-53-7
• PubChem CID: 5464452
• Peso molecular: 365.85

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Clase Morphinans

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Morphinans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Morphinans
• Alternative Parents: Phenanthrenes and derivatives Benzazocines Isoquinolones and derivatives Tetralins Anisoles 1-hydroxy-4-unsubstituted benzenoids Cyclohexenones Aralkylamines Alkyl aryl ethers Piperidines Quaternary ammonium salts Trialkylamines Azacyclic compounds Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Morphinan - Phenanthrene - Benzazocine - Isoquinolone - Tetralin - Anisole - Phenol ether - Cyclohexenone - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - Phenol - Alkyl aryl ether - Piperidine - Benzenoid - Quaternary ammonium salt - Cyclic ketone - Tertiary aliphatic amine - Ketone - Tertiary amine - Azacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic salt - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Organic chloride salt - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.
• External Descriptors: Not available

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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 231℃
• Peso molecular: 365.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 365.139 Da
• Monoisotopic Mass: 365.139 Da
• Topological Polar Surface Area: 59.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 562.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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: 2

XLogP3

Referencias

1. Ying-kun Zhi, Jing Li, Lang Yi, Rui-li Zhu, Jin-fang Luo, Qing-ping Shi, Sha-sha Bai, Yan-wu Li, Qun Du, Jia-zhong Cai, Liang Liu, Pei-xun Wang, Hua Zhou, Yan Dong.  (2022)  Sinomenine inhibits macrophage M1 polarization by downregulating α7nAChR via a feedback pathway of α7nAChR/ERK/Egr-1.  PHYTOMEDICINE,      [PMID:35397284] [10.1016/j.phymed.2022.154050]

2. Yan Zhou, Shuai Chen, Wenxian Gu, Xiao Sun, Linxiao Wang, Liming Tang.  (2021)  Sinomenine hydrochloride ameliorates dextran sulfate sodium‑induced colitis in mice by modulating the gut microbiota composition whilst suppressing the activation of the NLRP3 inflammasome.  Experimental and Therapeutic Medicine,  22  (5): (1-10).  [PMID:34630642] [10.3892/etm.2021.10722]