Products for Research Use Only
RegisterLogin

ANT2681

CAT: 0804-HY-176519Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-176519Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
ANT2681 is a potent NDM inhibitor with a Ki value of 0.04 μM against NDM-1. ANT2681 also inhibits other MBLs, such as VIM-1 and IMP-1 with Ki values of 0.63 μM and 3.81 μM, respectively. ANT2681 can be used in combination with Meropenem to inhibit infections caused by NDM-producing Enterobacteriaceae[1].
CAS Number
2270184-16-0
UNSPSC
12352211
Target
Bacterial; Beta-lactamase
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
O=C(C1=C(NS(=O)(C2=CC(F)=C(C(F)=C2)NC(NNC(N)=N)=O)=O)SC=N1)O
Molecular Formula
C12H11F2N7O5S2
Molecular Weight
435.39
References & Citations
[1]Davies DT, et al. ANT2681: SAR Studies Leading to the Identification of a Metallo-β-lactamase Inhibitor with Potential for Clinical Use in Combination with Meropenem for the Treatment of Infections Caused by NDM-Producing Enterobacteriaceae. ACS Infect Dis. 2020 Sep 11;6 (9) :2419-2430.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5-[[4-(Carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
CAS Number2270184-16-0
PubChem CID137422100
IUPAC Name5-[[4-[(diaminomethylideneamino)carbamoylamino]-3,5-difluorophenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
Molecular FormulaC12H11F2N7O5S2
Molecular Weight435.4
XLogP0.2
Topological Polar Surface Area239
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity718
SMILES
C1=C(C=C(C(=C1F)NC(=O)NN=C(N)N)F)S(=O)(=O)NC2=C(N=CS2)C(=O)O
InChI
InChI=1S/C12H11F2N7O5S2/c13-5-1-4(2-6(14)7(5)18-12(24)20-19-11(15)16)28(25,26)21-9-8(10(22)23)17-3-27-9/h1-3,21H,(H,22,23)(H4,15,16,19)(H2,18,20,24)
InChIKey
MDBJDQPFGYPCRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[[4-(Carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
CAS: 2270184-16-0
CID: 137422100
Formula: C12H11F2N7O5S2
MW: 435.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.4
XLogP30.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass435.02311515
Monoisotopic Mass435.02311515
Topological Polar Surface Area239 Ų
Heavy Atom Count28
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

Alternative Products

CatalogName
T211170-01ANT2681

Popular Products