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Bacterial Sortase Substrate III, Abz/DNP

CAT: 0804-HY-P1883Size: 1 EachDry Ice: NoHazardous: No
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Description
Bacterial Sortase Substrate III, Abz/DNP is an internally quenched fluorescent peptide substrate. Staphylococcus aureus transpeptidase sortase A (SrtA) reacts with its native substrate Bacterial Sortase Substrate III, Abz/DNP, cleaving it and catalyzing the formation of an amide bond between the carboxyl group of threonine and the amino group of cell-wall crossbridges. Cleavage of this substrate can be monitored at Ex/Em=320 nm/420 nm.
CAS Number
2857862-12-3
UNSPSC
12352209
Target
Fluorescent Dye
Type
Peptides
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/bacterial-sortase-substrate-iii-abz-dnp.html
Solubility
H2O
Smiles
O=C([C@@H](NC(C1=C(C=CC=C1)N)=O)CC(C)C)N2[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N)=O)CCCCNC3=C(C=C(C=C3)[N+]([O-])=O)[N+]([O-])=O)=O)=O)[C@@H](C)O)=O)CCC(O)=O)=O)CCC2
Molecular Formula
C41H57N11O14
Molecular Weight
927.96
References & Citations
[1]Zhang J, et al. Antiinfective therapy with a small molecule inhibitor of Staphylococcus aureus sortase. Proc Natl Acad Sci U S A. 2014 Sep 16;111 (37) :13517-22.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Abz-Leu-Pro-Glu-Thr-Gly-Lys(Dnp)-NH2
CAS Number2857862-12-3
PubChem CID170907835
IUPAC Name(4S)-4-[[(2S)-1-[(2S)-2-[(2-aminobenzoyl)amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S,3R)-1-[[2-[[(2S)-1-amino-6-(2,4-dinitroanilino)-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC41H57N11O14
Molecular Weight928.0
XLogP1.8
Topological Polar Surface Area396
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count24
Heavy Atom Count66
Formal Charge0
Complexity1740
SMILES
C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CCCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)C3=CC=CC=C3N)O
InChI
InChI=1S/C41H57N11O14/c1-22(2)19-30(48-37(58)25-9-4-5-10-26(25)42)41(62)50-18-8-12-31(50)39(60)47-29(15-16-34(55)56)38(59)49-35(23(3)53)40(61)45-21-33(54)46-28(36(43)57)11-6-7-17-44-27-14-13-24(51(63)64)20-32(27)52(65)66/h4-5,9-10,13-14,20,22-23,28-31,35,44,53H,6-8,11-12,15-19,21,42H2,1-3H3,(H2,43,57)(H,45,61)(H,46,54)(H,47,60)(H,48,58)(H,49,59)(H,55,56)/t23-,28+,29+,30+,31+,35+/m1/s1
InChIKey
WRZFAMJIPLOPLJ-OAFPALBKSA-N
Chemical Structure
2D Structure
2D structure of Abz-Leu-Pro-Glu-Thr-Gly-Lys(Dnp)-NH2
CAS: 2857862-12-3
CID: 170907835
Formula: C41H57N11O14
MW: 928.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight928.0
XLogP31.8
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count24
Exact Mass927.40864553
Monoisotopic Mass927.40864553
Topological Polar Surface Area396 Ų
Heavy Atom Count66
Formal Charge0
Complexity1740
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes