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NH2-C2-amido-C2-Boc

CAT: 0804-HY-130712Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-130712Size:1 Each
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Description
NH2-C2-amido-C2-Boc is a PROTAC linker, which refers to the alkyl/ether composition. NH2-C5-NH-Boc can be used in the synthesis of a series of PROTACs, such as the PROTAC CDK2/9 Degrader-1.
CAS Number
1692613-62-9
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/nh2-c2-amido-c2-boc.html
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)CCC(NCCN)=O
Molecular Formula
C10H20N2O3
Molecular Weight
216.28
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Zhou F, et al. Development of selective mono or dual PROTAC degrader probe of CDK isoforms. Eur J Med Chem. 2019 Dec 6;187:111952.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Alkyl/ether Linkers

Chemical Information

NH2-C2-amido-C2-Boc
CAS Number1692613-62-9
PubChem CID106707091
IUPAC Nametert-butyl 4-(2-aminoethylamino)-4-oxobutanoate
Molecular FormulaC10H20N2O3
Molecular Weight216.28
XLogP-0.7
Topological Polar Surface Area81.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count15
Formal Charge0
Complexity221
SMILES
CC(C)(C)OC(=O)CCC(=O)NCCN
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)5-4-8(13)12-7-6-11/h4-7,11H2,1-3H3,(H,12,13)
InChIKey
PINQOWFBHLVQEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NH2-C2-amido-C2-Boc
CAS: 1692613-62-9
CID: 106707091
Formula: C10H20N2O3
MW: 216.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.28
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass216.14739250
Monoisotopic Mass216.14739250
Topological Polar Surface Area81.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity221
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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