SPDP-C6-NHS ester

CAT: 0931-T16915-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T16915-03Size:25 mg

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CAS Number

158913-22-5

Target

Others, PROTAC Linker

Related Pathways

Others, PROTAC

Purity

0.9896

Bioactivity

SPDP-C6-NHS ester is an alkyl/ether-based linker used in the synthesis of PROTACs. PROTAC molecules contain two ligands joined by a linker: one ligand recruits an E3 ubiquitin ligase and the other binds to a target protein. SPDP-C6-NHS ester enables selective degradation of target proteins by exploiting the ubiquitin-proteasome system.

Smiles

O=C(ON1C(=O)CCC1=O)CCCCCNC(=O)CCSSC2=NC=CC=C2

Molecular Formula

C18H23N3O5S2

Molecular Weight

425.52

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Spdph

CAS Number	158913-22-5
PubChem CID	157808
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexanoate
Molecular Formula	C18H23N3O5S2
Molecular Weight	425.5
XLogP	1
Topological Polar Surface Area	156
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	13
Heavy Atom Count	28
Formal Charge	0
Complexity	545

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

CAS: 158913-22-5

CID: 157808

Formula: C18H23N3O5S2

MW: 425.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	425.5
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	13
Exact Mass	425.10791319
Monoisotopic Mass	425.10791319
Topological Polar Surface Area	156 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	545
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T18708-01	SPDP-C6-Gly-Leu-NHS ester
T18733-01	Sulfo-SPDP-C6-NHS sodium
T18712-01	SPDP-PEG24-NHS ester
T18710-01	SPDP-PEG12-NHS ester
T16918-01	SPDP-PEG6-NHS ester
T16917-01	SPDP-PEG4-NHS ester
T18713-01	SPDP-PEG36-NHS ester
TCL-01066-01	SPDP-Gly-Pro-NHS ester
T18525-01	PC SPDP-NHS carbonate ester
T208215-01	Pomalidomide-C6-NHS ester

Alternative Products

Catalog	Name
HY-124377-01	SPDP-C6-NHS ester
HY-141123	SPDP-C6-Gly-Leu-NHS ester
573091	SPDP-PEG8-NHS ester
MBS5770001	SPDP-PEG6-NHS ester
HY-141357-01	SPDP-PEG24-NHS ester
HY-141358	SPDP-PEG36-NHS ester
HY-130195-01	SPDP-PEG4-NHS ester
MBS5771569	SPDP-PEG12-NHS ester
MBS5771593	Sulfo-SPDP-C6-NHS sodium

SPDP-C6-NHS ester

Chemical Information

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