Ajmaline - 10mM in DMSO , CAS No.4360-12-7

CAS: 4360-12-7 Cat. No.: A423961 Peso molecular: 326.43 Número EC: 224-439-4

GRADE & PURITY 10mM in DMSO

Synonyms

(+)-Ajmaline|4360-12-7|Ajmalan-17,21-diol, (17R,21a)-|Ajmalin|Ajmaline|Cardiorythmine|Gilurytmal|Ignazin|Merabitol|NSC 15627|Raugalline|Rauwolfin|Rauwolfine|Rhytmaton|Ritmos|Rytmalin|Siddiqui|Tachmalin|Takycor|Ajmaline [JAN]|1PON08459R|Ajmalan-17,21-diol|

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

(+)-Ajmaline | 4360-12-7 | Ajmalan-17, 21-diol, (17R, 21a)- | Ajmalin | Ajmaline | Cardiorythmine | Gilurytmal | Ignazin | Merabitol | NSC 15627 | Raugalline | Rauwolfin | Rauwolfine | Rhytmaton | Ritmos | Rytmalin | Siddiqui | Tachmalin | Takycor | Ajmaline [JAN] | 1PON08459R | Ajmalan-17, 21-diol |

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Nombres e identificadores

• Sonrisas canónicas: CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C
• IUPAC Name: (1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
• InChIKey: CJDRUOGAGYHKKD-RQBLFBSQSA-N
• INCHI: 1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16-,17-,18+,19+,20+/m0/s1
• Isómeros SMILES: CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O)C6=CC=CC=C6N4C
• Peso molecular: 326.43
• Reaxy-Rn: 568202
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=568202&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Clase Ajmaline-sarpagine alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Ajmaline-sarpagine alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Ajmaline-sarpagine alkaloids
• Alternative Parents: Beta carbolines Quinolizidines Quinuclidines Dialkylarylamines Azepanes Aralkylamines Piperidines Benzenoids Secondary alcohols Hemiaminals Cyclic alcohols and derivatives Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Sarpagine-skeleton - Beta-carboline - Pyridoindole - Quinolizidine - Indole or derivatives - Dialkylarylamine - Quinuclidine - Tertiary aliphatic/aromatic amine - Azepane - Aralkylamine - Benzenoid - Piperidine - Cyclic alcohol - Secondary alcohol - Tertiary amine - Hemiaminal - Organoheterocyclic compound - Azacycle - Alkanolamine - Alcohol - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as ajmaline-sarpagine alkaloids. These are organic compounds containing either of the ajmalan, sarpagan skeleton, or derivative thereof. The Sarpagine (Akuammidine) group, based on the sarpagan nucleus, arises from bond formation between C-16 and C-5 of the corynantheine precursor. Ajmaline alkaloids are based on a 17,19-secoyohimban skeleton (oxayohimban) which is invariably present as an ether.
• 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

• Peso molecular: 326.400 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 326.199 Da
• Monoisotopic Mass: 326.199 Da
• Topological Polar Surface Area: 46.900 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 570.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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

Referencias

1. Min Chen, Wenhuan Chen, Xinyi Jiang, Shaomei Liang, Yingqiao Qin, Jiayi Tang, Yifei Li, Qifan Wu, Xue Liang, Pengcheng Wei, Kunpeng Liu, Sulan Luo.  (2026)  Virtual screening targeting the conserved domain of the IAV M2 protein reveals the potential broad-spectrum anti-IAV activity of ajmaline.  BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS,      [PMID:] [10.1016/j.bbrc.2026.153643]