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10'-Desmethoxystreptonigrin

CAT: 0013-GTR19192007Size: 2500 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192007Size:2500 µg
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Description
10'-Desmethoxystreptonigrin is a streptonigrin-derived antibiotic with potent antibacterial activity against pathogens like S. aureus and E. coli. It also demonstrates significant cytotoxicity against various cancer cell lines, including drug-resistant variants, and acts as an inhibitor of p21ras farnesylation. This compound is a valuable tool for researching antibiotic mechanisms, oncology, and signal transduction pathways in vitro.
CAS Number
136803-89-9
Field of Research
Infectious Disease & Virology, Metabolism Research
Smiles
COC1=C (N) C (=O) c2nc (ccc2C1=O) -c1nc (C (O) =O) c (C) c (c1N) -c1cccc (OC) c1O |c:2|
Molecular Formula
C24H20N4O7
Molecular Weight
476.445
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

10'-Desmethoxystreptonigrin

10'-Desmethoxystreptonigrin is a member of bipyridines.

CAS Number136803-89-9
PubChem CID131994
IUPAC Name5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3-methoxyphenyl)-3-methylpyridine-2-carboxylic acid
Molecular FormulaC24H20N4O7
Molecular Weight476.4
XLogP1.8
Topological Polar Surface Area188
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity895
SMILES
CC1=C(C(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=CC=C4)OC)O
InChI
InChI=1S/C24H20N4O7/c1-9-14(10-5-4-6-13(34-2)20(10)29)15(25)19(28-17(9)24(32)33)12-8-7-11-18(27-12)22(31)16(26)23(35-3)21(11)30/h4-8,29H,25-26H2,1-3H3,(H,32,33)
InChIKey
ULSNCNUVHUNMCF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 10'-Desmethoxystreptonigrin
CAS: 136803-89-9
CID: 131994
Formula: C24H20N4O7
MW: 476.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.4
XLogP31.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass476.13319899
Monoisotopic Mass476.13319899
Topological Polar Surface Area188 Ų
Heavy Atom Count35
Formal Charge0
Complexity895
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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