Fmoc-NH-ethyl-SS-propionic NHS ester

CAT: 0804-HY-140119Size: 1 EachDry Ice: NoHazardous: No

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Description

Fmoc-NH-ethyl-SS-propionic NHS ester is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs) [1].

CAS Number

2128735-23-7

UNSPSC

12352203

Hazard Statement

H302-H315-H319-H335

Target

ADC Linker

Type

ADC Related

Related Pathways

Antibody-drug Conjugate/ADC Related

Applications

Cancer-programmed cell death

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/fmoc-nh-ethyl-ss-propionic-nhs-ester.html

Solubility

10 mM in DMSO

Smiles

O=C(ON1C(CCC1=O)=O)CCSSCCNC(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O

Molecular Formula

C24H24N2O6S2

Molecular Weight

500.59

Precautions

P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

References & Citations

[1]Beck A, et al. Strategies and challenges for the next generation of antibody-drug conjugates. Nat Rev Drug Discov. 2017 May;16 (5) :315-337.

Shipping Conditions

Room temperature

Scientific Category

ADC Related

Clinical Information

No Development Reported

Isoform

Cleavable Linker; Disulfide Cleavable Linker

Chemical Information

Fmoc-NH-ethyl-SS-propionic NHS ester

CAS Number	2128735-23-7
PubChem CID	129627652
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyldisulfanyl]propanoate
Molecular Formula	C24H24N2O6S2
Molecular Weight	500.6
XLogP	2.7
Topological Polar Surface Area	153
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	12
Heavy Atom Count	34
Formal Charge	0
Complexity	728

SMILES

C1CC(=O)N(C1=O)OC(=O)CCSSCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C24H24N2O6S2/c27-21-9-10-22(28)26(21)32-23(29)11-13-33-34-14-12-25-24(30)31-15-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,20H,9-15H2,(H,25,30)

InChIKey

XTOJUNPXMJPADI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2128735-23-7

CID: 129627652

Formula: C24H24N2O6S2

MW: 500.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	500.6
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	12
Exact Mass	500.10757884
Monoisotopic Mass	500.10757884
Topological Polar Surface Area	153 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	728
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

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MBS5769076	Fmoc-NH-ethyl-SS-propionic NHS ester
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Fmoc-NH-ethyl-SS-propionic NHS ester

Chemical Information

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