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Pelagiomicin A

CAT: 0804-HY-121716Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-121716Size:1 Each
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Description
Pelagiomicin A is a novel phenazine antibiotic produced by the marine bacterium Pelagiobacter variabilis. The compound is unstable in water and small alcohols. The absolute structure of its major component, Pelagiomicin A, as well as the properties of minor amounts of other structures, were determined by spectroscopic data and synthesis. Pelagiomicin A is active against both Gram-positive and Gram-negative bacteria and exhibits antitumor activity in vitro and in vivo.
CAS Number
173485-80-8
Product Name Alternative
Antibiotic 2088A; LL-14I352α
UNSPSC
12352005
Target
Bacterial
Type
Natural Products
Related Pathways
Anti-infection
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pelagiomicin-a.html
Smiles
N[C@H](C(OCC1=CC=C(C2=NC3=C(C=CC=C3N=C21)C(O)=O)OC)=O)C(O)(C)C
Molecular Formula
C20H21N3O6
Molecular Weight
399.40
References & Citations
[1]New anticancer antibiotics pelagiomicins, produced by a new marine bacterium Pelagiobacter variabilis
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

L-Valine, 3-hydroxy-, (6-carboxy-4-methoxy-1-phenazinyl)methyl ester

Pelagiomicin A is a natural product found in Pelagiobacter variabilis. It has a role as a metabolite.

CAS Number173485-80-8
PubChem CID3075266
IUPAC Name6-[[(2S)-2-amino-3-hydroxy-3-methylbutanoyl]oxymethyl]-9-methoxyphenazine-1-carboxylic acid
Molecular FormulaC20H21N3O6
Molecular Weight399.4
XLogP-1.4
Topological Polar Surface Area145
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity615
SMILES
CC(C)([C@@H](C(=O)OCC1=CC=C(C2=NC3=C(C=CC=C3N=C12)C(=O)O)OC)N)O
InChI
InChI=1S/C20H21N3O6/c1-20(2,27)17(21)19(26)29-9-10-7-8-13(28-3)16-14(10)22-12-6-4-5-11(18(24)25)15(12)23-16/h4-8,17,27H,9,21H2,1-3H3,(H,24,25)/t17-/m1/s1
InChIKey
SFUOAUKIPVZJLK-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of L-Valine, 3-hydroxy-, (6-carboxy-4-methoxy-1-phenazinyl)methyl ester
CAS: 173485-80-8
CID: 3075266
Formula: C20H21N3O6
MW: 399.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.4
XLogP3-1.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass399.14303540
Monoisotopic Mass399.14303540
Topological Polar Surface Area145 Ų
Heavy Atom Count29
Formal Charge0
Complexity615
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19198767-01Pelagiomicin A
GTR19254568-01Pelagiomicin C
GTR19256033-01Pelagiomicin B

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