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Ald-Ph-amido-C2-nitrate

CAT: 0804-HY-130096-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130096-01Size:25 mg
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Description
Ald-Ph-amido-C2-nitrate (Example XXIVb) is a thiazolidine derivative, used as a noncleavable ADC linker[1].
CAS Number
141534-26-1
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/ald-phe-amido-c2-nitrate.html
Solubility
10 mM in DMSO
Smiles
O=C(NCCO[N+]([O-])=O)C1=CC=C(C=O)C=C1
Molecular Formula
C10H10N2O5
Molecular Weight
238.20
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Bron, et al. THIAZOLIDIN DERIVATIVES. WO9204337A1.
Shipping Conditions
Room temperature
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
Non-cleavable Linker

Chemical Information

2-(4-Formylbenzamido)ethyl nitrate
CAS Number141534-26-1
PubChem CID20095530
IUPAC Name2-[(4-formylbenzoyl)amino]ethyl nitrate
Molecular FormulaC10H10N2O5
Molecular Weight238.20
XLogP0.9
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity281
SMILES
C1=CC(=CC=C1C=O)C(=O)NCCO[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O5/c13-7-8-1-3-9(4-2-8)10(14)11-5-6-17-12(15)16/h1-4,7H,5-6H2,(H,11,14)
InChIKey
MEAJXPIXWKHNPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Formylbenzamido)ethyl nitrate
CAS: 141534-26-1
CID: 20095530
Formula: C10H10N2O5
MW: 238.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.20
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass238.05897142
Monoisotopic Mass238.05897142
Topological Polar Surface Area101 Ų
Heavy Atom Count17
Formal Charge0
Complexity281
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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