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ABP 25

CAT: 0013-GTR19221464-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221464-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ABP 25 is a potent and selective activity-based probe designed for imaging cathepsin K. It enables real-time visualization of enzyme activity in both in vitro assays and in vivo models, supporting research in osteoporosis, arthritis, and cancer metastasis.
CAS Number
2965359-45-7
Field of Research
Protein Biochemistry
Molecular Formula
C55H66ClN5O3
Molecular Weight
880.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2R)-N-[(E)-4-(dibenzylamino)-4-oxobut-2-enyl]-2-[5-[(2E)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]pentanoylamino]-4-methylpentanamide chloride
CAS Number2965359-45-7
PubChem CID168445269
IUPAC Name(2R)-N-[(E)-4-(dibenzylamino)-4-oxobut-2-enyl]-2-[5-[(2E)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]pentanoylamino]-4-methylpentanamide chloride
Molecular FormulaC55H66ClN5O3
Molecular Weight880.6
Topological Polar Surface Area84.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count19
Heavy Atom Count64
Formal Charge0
Complexity1650
SMILES
CC(C)C[C@H](C(=O)NC/C=C/C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)NC(=O)CCCCN\3C4=CC=CC=C4C(/C3=C\C=C\C=C\C5=[N+](C6=CC=CC=C6C5(C)C)C)(C)C.[Cl-]
InChI
InChI=1S/C55H65N5O3.ClH/c1-41(2)38-46(53(63)56-36-23-35-52(62)59(39-42-24-11-8-12-25-42)40-43-26-13-9-14-27-43)57-51(61)34-21-22-37-60-48-31-20-18-29-45(48)55(5,6)50(60)33-16-10-15-32-49-54(3,4)44-28-17-19-30-47(44)58(49)7;/h8-20,23-33,35,41,46H,21-22,34,36-40H2,1-7H3,(H-,56,57,61,63);1H/b35-23+;/t46-;/m1./s1
InChIKey
CLCYYRGUFUCWNY-QXBPDYQPSA-N
Chemical Structure
2D Structure
2D structure of (2R)-N-[(E)-4-(dibenzylamino)-4-oxobut-2-enyl]-2-[5-[(2E)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]pentanoylamino]-4-methylpentanamide chloride
CAS: 2965359-45-7
CID: 168445269
Formula: C55H66ClN5O3
MW: 880.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight880.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count19
Exact Mass879.4854187
Monoisotopic Mass879.4854187
Topological Polar Surface Area84.8 Ų
Heavy Atom Count64
Formal Charge0
Complexity1650
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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