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SPDP-C6-NHS ester

CAT: 0013-GTR19226161-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226161-02Size:10 mg
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Description
SPDP-C6-NHS ester is a heterobifunctional crosslinker used to construct PROTAC molecules for targeted protein degradation. It enables the conjugation of a target protein ligand to an E3 ligase recruiter, facilitating the study of protein function in both cellular and in vivo models via the ubiquitin-proteasome system.
CAS Number
158913-22-5
Product Name Alternative
SPDPC6NHS ester, SPDP-C-6-NHS ester, SPDP-C6-NHS ester, SPDP C6 NHS ester, Alkyl/ether
Field of Research
Pharmacology & Drug Discovery
Purity
98.96% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.7 mM) ; DMSO:40 mg/mL (94 mM)
Smiles
O=C (ON1C (=O) CCC1=O) CCCCCNC (=O) CCSSC2=NC=CC=C2
Molecular Formula
C18H23N3O5S2
Molecular Weight
425.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Spdph
CAS Number158913-22-5
PubChem CID157808
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexanoate
Molecular FormulaC18H23N3O5S2
Molecular Weight425.5
XLogP1
Topological Polar Surface Area156
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count28
Formal Charge0
Complexity545
SMILES
C1CC(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCSSC2=CC=CC=N2
InChI
InChI=1S/C18H23N3O5S2/c22-14(10-13-27-28-15-6-3-5-12-20-15)19-11-4-1-2-7-18(25)26-21-16(23)8-9-17(21)24/h3,5-6,12H,1-2,4,7-11,13H2,(H,19,22)
InChIKey
QYEAAMBIUQLHFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spdph
CAS: 158913-22-5
CID: 157808
Formula: C18H23N3O5S2
MW: 425.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.5
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass425.10791319
Monoisotopic Mass425.10791319
Topological Polar Surface Area156 Ų
Heavy Atom Count28
Formal Charge0
Complexity545
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

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