Products for Research Use Only

PDdB-Pfp

CAT: 0013-GTR19225110-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225110-01Size:100 mg
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Description
PDdB-Pfp is a reducible linker designed for constructing antibody-drug conjugates (ADCs) that target the extracellular loop 1 of TM4SF1. This reagent is utilized in cancer research for developing targeted therapeutics and is applicable in both in vitro and in vivo experimental models to study ADC efficacy and specificity.
CAS Number
2101206-44-2
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (OC=1C (F) =C (F) C (F) =C (F) C1F) CCC (SSC2=NC=CC=C2) (C) C
Molecular Formula
C17H14F5NO2S2
Molecular Weight
423.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PDdB-Pfp
CAS Number2101206-44-2
PubChem CID129896956
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 4-methyl-4-(pyridin-2-yldisulfanyl)pentanoate
Molecular FormulaC17H14F5NO2S2
Molecular Weight423.4
XLogP4.6
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity486
SMILES
CC(C)(CCC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)SSC2=CC=CC=N2
InChI
InChI=1S/C17H14F5NO2S2/c1-17(2,27-26-9-5-3-4-8-23-9)7-6-10(24)25-16-14(21)12(19)11(18)13(20)15(16)22/h3-5,8H,6-7H2,1-2H3
InChIKey
AYVZOOXFTJNGJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PDdB-Pfp
CAS: 2101206-44-2
CID: 129896956
Formula: C17H14F5NO2S2
MW: 423.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight423.4
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass423.03861185
Monoisotopic Mass423.03861185
Topological Polar Surface Area89.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity486
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