Artemisinin - Moligand™, ≥98% , CAS No.63968-64-9

Name: Artemisinin - Moligand™, ≥98% , CAS No.63968-64-9
Brand: Aladdin Scientific
SKU: A110206
Availability: InStock

CAS: 63968-64-9 Cat. No.: A110206 Formula: C₁₅H₂₂O₅ Molecular Weight: 282.33 EC Number: 700-290-5

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Artemisinin - Moligand™, ≥98% CAS No(63968-64-9) by Aladdin Scientific

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GRADE & PURITY Moligand™ ? ≥98%

Synonyms

Artemisininum|quinghaosu|Artemisinin [INN]|(+)-Arteannuin|Qing Hau Sau [Chinese]|artemsinin|Artesin|(3R,5aS,6R,8aS,9R,12S,12aR)-Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one|1,5,9-trimethyl-(1R,4S,5R,9R,12S,13R)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one|ARTEMISININ (MART.)|Artemisinina [Spanish]|(3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyloctahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10(3H)-one|ARTEMISININUM [WHO-IP LATIN]|ARTEMISININ [USP-RS]|(1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one|(3R,5aS,6R,8aS,9R,12S,12aR)-Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one|Artemisininum [Latin]|ARTEMISININ [WHO-DD]|qing hao su|Qinghaosu|1,5,9-trimethyl-(1R,4S,5R,9R,12S,13R)-11,14,15,16-tetraoxatetracyclo(10.3.1.04,13.08,13)hexadecan-10-one|artemisinin|ARTEMISININ (USP-RS)|Qing Hau SU|Artemisine|Qinghosu|Qing Hau Sau|ARTEMISININ [MI]|Artemisinine [French]|ARTEMISININ [MART.]|Artemisinine|3,12-Epoxy-12H-pyranol(4,3-j)-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (3-alpha,5a-beta,6-beta,8a-beta,9-alpha,12-beta,12aR*)-(+)-|Artemisininum (Latin)|ARTEMISININ [INCI]|Quing Hau Sau|(+)-Artemisinin|QHS|Qinghaosu,Artemisinine|(1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecan-10-one|(3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-Trimethyloctahydro-3,12-epoxypyrano(4,3-j)(1,2)benzodioxepin-10(3H)-one|(3R,5AS,6R,8AS,9R,12S,12aR)-3,6,9-trimethyloctahydro-3,12-epoxypyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one|Pharmakon1600-01503042|Huanghuahaosu

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties FAQs and Articles Citations of This Product Solution Calculators Reviews

Specifications

Synonyms

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Antimalarial compound. Forms highly alkylating free radicals and reactive oxygen species (ROS°) on interaction with iron. Additionally shows anticancer and antitumor properties. Active in vivo .

Storage

Room temperature

Shipped In

Normal

Grade

Moligand™

Action Type

INHIBITOR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

Pubchem Sid

488184181

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184181

Canonical Smiles

CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C

IUPAC Name

(1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one

InChIKey

BLUAFEHZUWYNDE-NNWCWBAJSA-N

INCHI

1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1

Isomeric SMILES

C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C

WGK Germany

RTECS

KD4170000

Molecular Weight

282.33

Reaxy-Rn

6770021

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6770021&ln=

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Terpene lactones

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Terpene lactones
Intermediate Tree Nodes	Not available
Direct Parent	Terpene lactones
Alternative Parents	Artemisinins Oxepanes Delta valerolactones Trioxanes Oxanes Dialkyl peroxides Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Artemisinin skeleton - Terpene lactone - Sesquiterpenoid - Delta valerolactone - Delta_valerolactone - Oxepane - Oxane - 1,2,4-trioxane - Carboxylic acid ester - Lactone - Dialkyl peroxide - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.
External Descriptors	Eudesmane sesquiterpenoids
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

3D Structure

Associated Targets(Human)

CYP2B6 Tchem Cytochrome P450 2B6 (0 Activities)

Discover Target: CYP2B6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HMGCR Tclin HMG-CoA reductase (2475 Activities)

Discover Target: HMGCR

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

TOP1 Tclin DNA topoisomerase I (7553 Activities)

Discover Target: TOP1

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

ACE Tclin Angiotensin-converting enzyme (1423 Activities)

Discover Target: ACE

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

DHODH Tclin Dihydroorotate dehydrogenase (2737 Activities)

Discover Target: DHODH

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

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

A-375 (9258 Activities)

Lot Number	Certificate Type	Date	Item
J2626077	Certificate of Analysis	Nov 03, 2026	A110206
K2208032	Certificate of Analysis	Aug 03, 2026	A110206
K2208036	Certificate of Analysis	Aug 03, 2026	A110206
K2208038	Certificate of Analysis	Aug 03, 2026	A110206
K2119127	Certificate of Analysis	Sep 04, 2025	A110206
K2119129	Certificate of Analysis	Sep 04, 2025	A110206
B2318440	Certificate of Analysis	Feb 22, 2023	A110206
B2318442	Certificate of Analysis	Feb 22, 2023	A110206
A2608120	Certificate of Analysis	Nov 18, 2022	A110206
E2507032	Certificate of Analysis	Nov 18, 2022	A110206
E2608035	Certificate of Analysis	Nov 18, 2022	A110206
K2208037	Certificate of Analysis	Nov 18, 2022	A110206

Solubility	Soluble in Methanol
x_specific_rotation	75 ° (C=0.5, MeOH)
x_melt_point_char	156-157°C
Molecular Weight	282.330 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	282.147 Da
Monoisotopic Mass	282.147 Da
Topological Polar Surface Area	54.000 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	452.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
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

Artemisinin - Moligand™, ≥98% , CAS No.63968-64-9

Specifications

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