Dihydroartemisinic acid - 10mM in DMSO , CAS No.85031-59-0

CAS: 85031-59-0 Cat. No.: D426250 Peso molecular: 236.35 Número EC: 813-723-9

GRADE & PURITY 10mM in DMSO

Synonyms

MFCD16876168 | (R)-2-((1R,4R,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl)propanoicacid | dihydroarteannuic acid | 2-(4,7-dimethyl-(1alpha-H),2,3,(4beta-H),(4aalpha-H),5,6,(8aalpha-H)-octahydronaphthalen-1-yl)propionic acid | A917753 |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Dihydroartemisinic acid is a natural product from Artemisia annua and the main direct precursor of artemisinin, which is a medicinal herb that is widely used to treat Malaria.

Specifications

Sinónimos

MFCD16876168 | (R)-2-((1R, 4R, 4aS, 8aS)-4, 7-dimethyl-1, 2, 3, 4, 4a, 5, 6, 8a-octahydronaphthalen-1-yl)propanoicacid | dihydroarteannuic acid | 2-(4, 7-dimethyl-(1alpha-H), 2, 3, (4beta-H), (4aalpha-H), 5, 6, (8aalpha-H)-octahydronaphthalen-1-yl)propionic acid | A917753 |

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Dihydroartemisinic acid (Dihydroqinghao acid) is a biosynthetic precursor to the antimalarial agent Artemisinin

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.

Tipo de acción

INHIBITOR

Nombres e identificadores

• Sonrisas canónicas: CC1CCC(C2C1CCC(=C2)C)C(C)C(=O)O
• IUPAC Name: (2R)-2-[(1R,4R,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanoic acid
• InChIKey: JYGAZEJXUVDYHI-DGTMBMJNSA-N
• INCHI: 1S/C15H24O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8,10-14H,4-7H2,1-3H3,(H,16,17)/t10-,11-,12+,13+,14+/m1/s1
• Isómeros SMILES: C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)[C@@H](C)C(=O)O
• Peso molecular: 236.35
• Reaxy-Rn: 35424898
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35424898&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Sesquiterpenoid - Cadinane sesquiterpenoid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• 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

Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Rotación específica [α]: -14.4°(c = 0.2, Chloroform)
• Punto de fusión (°C): 135-137°C
• Peso molecular: 236.350 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 236.178 Da
• Monoisotopic Mass: 236.178 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 332.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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