Sparfloxacin

CAT: 0804-HY-B0308-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-B0308-01Size:100 mg

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Description

Sparfloxacin (CI-978) is a fluoroquinolone antibiotic, shows broad and potent antibacterial activity[1].

CAS Number

110871-86-8

Product Name Alternative

CI-978; AT-4140

UNSPSC

12352005

Hazard Statement

H315, H319, H335

Target

Antibiotic; Bacterial

Type

Reference compound

Related Pathways

Anti-infection

Applications

COVID-19-immunoregulation

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/sparfloxacin.html

Purity

99.93

Solubility

0.1 M NaOH : 50 mg/mL (ultrasonic; adjust pH to 11 with NaOH) |DMSO : 5 mg/mL (ultrasonic; warming; heat to 60°C) |H2O : < 0.1 mg/mL

Smiles

O=C(C1=CN(C2CC2)C3=C(C(N)=C(F)C(N4C[C@H](C)N[C@H](C)C4)=C3F)C1=O)O

Molecular Formula

C19H22F2N4O3

Molecular Weight

392.40

Precautions

H315, H319, H335

References & Citations

[1]Nakamura, S., et al., In vitro and in vivo antibacterial activities of AT-4140, a new broad-spectrum quinolone. Antimicrob Agents Chemother, 1989. 33 (8) : p. 1167-73.|[2]Pan, X.S. and L.M. Fisher, Targeting of DNA gyrase in Streptococcus pneumoniae by sparfloxacin: selective targeting of gyrase or topoisomerase IV by quinolones. Antimicrob Agents Chemother, 1997. 41 (2) : p. 471-4.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, protect from light)

Scientific Category

Reference compound1

Clinical Information

Launched

Isoform

Quinolone

Chemical Information

Sparfloxacin

Sparfloxacin is a quinolone, a quinolinemonocarboxylic acid, a N-arylpiperazine, a quinolone antibiotic and a fluoroquinolone antibiotic.

CAS Number	110871-86-8
PubChem CID	60464
IUPAC Name	5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
Molecular Formula	C19H22F2N4O3
Molecular Weight	392.4
XLogP	0.1
Topological Polar Surface Area	98.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	28
Formal Charge	0
Complexity	691

SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=C(C(=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)N)F

InChI

InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+

InChIKey

DZZWHBIBMUVIIW-DTORHVGOSA-N

Chemical Structure

2D Structure

CAS: 110871-86-8

CID: 60464

Formula: C19H22F2N4O3

MW: 392.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	392.4
XLogP3	0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	392.16599690
Monoisotopic Mass	392.16599690
Topological Polar Surface Area	98.9 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	691
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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