Actinobolin hemisulfate

CAT: 0931-T203091-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T203091-01Size:10 mg

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CAS Number

18802-17-0

Target

Antibacterial, Antibiotic

Related Pathways

Microbiology/Virology

Bioactivity

Actinobolin hemisulfate ((+) -Actinobolin hemisulfate) is the hemisulfate salt form of Actinobolin. This antibiotic functions by targeting ribosomes in both bacteria and eukaryotes to inhibit protein synthesis. Actinobolin hemisulfate exhibits inhibitory effects on Mycobacterium smegmatis, Escherichia coli, and rabbit reticulocyte lysate (RRL) with IC50 values of 19.2, 27.9, and 288 μmol/L, respectively.

Smiles

O=S(O)(O)=O.C[C@H](N)C(N[C@@H]1[C@@]2([H])C(C(O[C@@H]1C)=O)=C(C[C@H]([C@@H]2O)O)O)=O.C[C@H](N)C(N[C@@H]3[C@@]4([H])C(C(O[C@@H]3C)=O)=C(C[C@H]([C@@H]4O)O)O)=O

Molecular Formula

C13H20N2O6 0.5H2SO4

Molecular Weight

349.35

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Propanamide, 2-amino-N-(3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl)-, (3R-(3-alpha,4-alpha(S*),4a-beta,5-beta,6-alpha))-, sulfate (2:1) (salt)

CAS Number	18802-17-0
PubChem CID	54688605
IUPAC Name	bis((2S)-2-amino-N-[(3R,4R,4aR,5R,6R)-5,6,8-trihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydroisochromen-4-yl]propanamide);sulfuric acid
Molecular Formula	C26H42N4O16S
Molecular Weight	698.7
Topological Polar Surface Area	367
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	4
Heavy Atom Count	47
Formal Charge	0
Complexity	572

SMILES

C[C@@H]1[C@@H]([C@@H]2[C@H]([C@@H](CC(=C2C(=O)O1)O)O)O)NC(=O)[C@H](C)N.C[C@@H]1[C@@H]([C@@H]2[C@H]([C@@H](CC(=C2C(=O)O1)O)O)O)NC(=O)[C@H](C)N.OS(=O)(=O)O

InChI

InChI=1S/2C13H20N2O6.H2O4S/c2*1-4(14)12(19)15-10-5(2)21-13(20)8-6(16)3-7(17)11(18)9(8)10;1-5(2,3)4/h2*4-5,7,9-11,16-18H,3,14H2,1-2H3,(H,15,19);(H2,1,2,3,4)/t2*4-,5+,7+,9+,10-,11-;/m00./s1

InChIKey

FOBDHAMVQNURED-LWTNDNBJSA-N

Chemical Structure

2D Structure

CAS: 18802-17-0

CID: 54688605

Formula: C26H42N4O16S

MW: 698.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	698.7
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	4
Exact Mass	698.23165244
Monoisotopic Mass	698.23165244
Topological Polar Surface Area	367 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	572
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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Catalog	Name
HY-W995025A	Actinobolin (hemisulfate)
GTR19241768-01	Actinobolin hemisulfate
GTR19241388-01	Actinobolin
B6380-10	Physostigmine hemisulfate
HY-N0716A-01	Berberine (hemisulfate)
FB61496-01	Terbutaline hemisulfate
FB18135-01	Bamethan hemisulfate
LAA07587-01	Lipoxamycin (hemisulfate)
FP01535-01	Proflavine hemisulfate
FL29627-01	Leupeptin hemisulfate

Actinobolin hemisulfate

Chemical Information

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