Artemisone

CAT: 0931-T14324-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No

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CAT#:0931-T14324-03Size:1 mL - 10 mM (in DMSO)

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

255730-18-8

Target

Parasite, Virus Protease

Related Pathways

Microbiology/Virology

Purity

0.999

Bioactivity

Artemisone (BAY 44-9585) is a potent and semi-synthetic antimalarial, inhibits P. falciparum strains (IC50: 0.83 nM) . It also is a potent inhibitor of human CMV.

Smiles

[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H]([C@@H]2C)N1CCS(=O)(=O)CC1)O4

Molecular Formula

C19H31NO6S

Molecular Weight

401.52

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Artemisone

Artemisone is under investigation in clinical trial NCT00936767 (Artemisone for the Treatment of Uncomplicated Falciparum Malaria in Western Cambodia).

CAS Number	255730-18-8
PubChem CID	11531457
IUPAC Name	4-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]-1,4-thiazinane 1,1-dioxide
Molecular Formula	C19H31NO6S
Molecular Weight	401.5
XLogP	2.4
Topological Polar Surface Area	82.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Heavy Atom Count	27
Formal Charge	0
Complexity	695

SMILES

C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)N5CCS(=O)(=O)CC5)C

InChI

InChI=1S/C19H31NO6S/c1-12-4-5-15-13(2)16(20-8-10-27(21,22)11-9-20)23-17-19(15)14(12)6-7-18(3,24-17)25-26-19/h12-17H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,19-/m1/s1

InChIKey

FDMUNKXWYMSZIR-NQWKWHCYSA-N

Chemical Structure

2D Structure

CAS: 255730-18-8

CID: 11531457

Formula: C19H31NO6S

MW: 401.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	401.5
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	401.18720888
Monoisotopic Mass	401.18720888
Topological Polar Surface Area	82.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	695
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T72903-01	Artemisiane E

Alternative Products

Catalog	Name
BA1604-50	Artemisone
A20756-10	Artemisone 10mg
HY-19502R-01	Artemisone (Standard)
A20756-50	Artemisone 50mg
A20756-100	Artemisone 100mg
A20756-25	Artemisone 25mg
A20756-5	Artemisone 5mg
A20756-1	Artemisone 1mg
A20756-10mM-D	Artemisone 10mM * 1mL in DMSO

Artemisone

Chemical Information

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