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MF 5137

CAT: 0804-HY-100289Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-100289Size:1 Each
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Description
MF 5137 is a potent antibacterial agent.
CAS Number
148927-23-5
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/MF_5137.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CN(C2CC2)C3=C(C=C(N)C(N4CC5=C(C=CC=C5)CC4)=C3C)C1=O)O
Molecular Formula
C23H23N3O3
Molecular Weight
389.45
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Viola G, et al. 6-Aminoquinolones: photostability, cellular distribution and phototoxicity. Toxicol In Vitro. 2004 Oct;18 (5) :581-92.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

MF-5137
CAS Number148927-23-5
PubChem CID460150
IUPAC Name6-amino-1-cyclopropyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC23H23N3O3
Molecular Weight389.4
XLogP3.9
Topological Polar Surface Area86.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity718
SMILES
CC1=C2C(=CC(=C1N3CCC4=CC=CC=C4C3)N)C(=O)C(=CN2C5CC5)C(=O)O
InChI
InChI=1S/C23H23N3O3/c1-13-20-17(22(27)18(23(28)29)12-26(20)16-6-7-16)10-19(24)21(13)25-9-8-14-4-2-3-5-15(14)11-25/h2-5,10,12,16H,6-9,11,24H2,1H3,(H,28,29)
InChIKey
LLVLMYRWABCVEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MF-5137
CAS: 148927-23-5
CID: 460150
Formula: C23H23N3O3
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass389.17394160
Monoisotopic Mass389.17394160
Topological Polar Surface Area86.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity718
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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