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(S) -Gyramide A

CAT: 0804-HY-116231Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-116231Size:1 Each
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Description
(S) -Gyramide A is a weak inhibitor of cell proliferation that can target DNA gyrase[1].
CAS Number
1000592-48-2
UNSPSC
12352005
Target
Topoisomerase
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/s-gyramide-a.html
Smiles
O=S(C1=CC(F)=CC=C1C)(N[C@@H]2CN(CC3=CC=C(OC(C)C)C=C3)CC2)=O
Molecular Formula
C21H27FN2O3S
Molecular Weight
406.51
References & Citations
[1]Khan T, Sankhe K, Suvarna V, et al. DNA gyrase inhibitors: Progress and synthesis of potent compounds as antibacterial agents[J]. Biomedicine & Pharmacotherapy, 2018, 103: 923-938.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(S)-Gyramide A
CAS Number1000592-48-2
PubChem CID25037436
IUPAC Name5-fluoro-2-methyl-N-[(3S)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide
Molecular FormulaC21H27FN2O3S
Molecular Weight406.5
XLogP3.9
Topological Polar Surface Area67
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity587
SMILES
CC1=C(C=C(C=C1)F)S(=O)(=O)N[C@H]2CCN(C2)CC3=CC=C(C=C3)OC(C)C
InChI
InChI=1S/C21H27FN2O3S/c1-15(2)27-20-8-5-17(6-9-20)13-24-11-10-19(14-24)23-28(25,26)21-12-18(22)7-4-16(21)3/h4-9,12,15,19,23H,10-11,13-14H2,1-3H3/t19-/m0/s1
InChIKey
PTJKAHCUUOORPC-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of (S)-Gyramide A
CAS: 1000592-48-2
CID: 25037436
Formula: C21H27FN2O3S
MW: 406.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.5
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass406.17264206
Monoisotopic Mass406.17264206
Topological Polar Surface Area67 Ų
Heavy Atom Count28
Formal Charge0
Complexity587
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

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