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IMP-1700

CAT: 0013-GTR19190505-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190505-01Size:10 mg
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Description
IMP-1700 is a bacterial DNA repair inhibitor that potentiates ciprofloxacin against MRSA and inhibits the SOS response. It exhibits standalone antibacterial activity against E. coli and S. aureus strains. This compound is a valuable research tool for studying antibiotic potentiation and bacterial stress response pathways in vitro.
CAS Number
1458674-25-3
Purity
>98%
Form
Powder
Solubility
Soluble in DMSO (up to at least 25 mg/ml)
Smiles
OC (=O) c1cn (C2CC2) c2cc (N3CCN (CC3) C (=S) Nc3ccc (cc3) C (F) (F) F) c (F) cc2c1=O
Molecular Formula
C25H22F4N4O5S
Molecular Weight
534.5
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
1-Cyclopropyl-6-fluoro-4-oxo-7- (4- (4- (trifluoromethyl) phenyl) carbamothioyl) piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid

Chemical Information

1-Cyclopropyl-6-fluoro-4-oxo-7-[4-[[4-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid
CAS Number1458674-25-3
PubChem CID71747921
IUPAC Name1-cyclopropyl-6-fluoro-4-oxo-7-[4-[[4-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid
Molecular FormulaC25H22F4N4O3S
Molecular Weight534.5
XLogP4
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity943
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)NC5=CC=C(C=C5)C(F)(F)F)F)C(=O)O
InChI
InChI=1S/C25H22F4N4O3S/c26-19-11-17-20(33(16-5-6-16)13-18(22(17)34)23(35)36)12-21(19)31-7-9-32(10-8-31)24(37)30-15-3-1-14(2-4-15)25(27,28)29/h1-4,11-13,16H,5-10H2,(H,30,37)(H,35,36)
InChIKey
DMUZWIXJZNKJPP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Cyclopropyl-6-fluoro-4-oxo-7-[4-[[4-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid
CAS: 1458674-25-3
CID: 71747921
Formula: C25H22F4N4O3S
MW: 534.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight534.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass534.13487440
Monoisotopic Mass534.13487440
Topological Polar Surface Area108 Ų
Heavy Atom Count37
Formal Charge0
Complexity943
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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