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DBCO-NH- (CH2) 4COOH

CAT: 0804-HY-130912-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130912-01Size:5 mg
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Description
DBCO-NH- (CH2) 4COOH is an alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1]. DBCO-NH- (CH2) 4COOH is a click chemistry reagent, it contains a DBCO group that can undergo strain-promoted alkyne-azide cycloaddition (SPAAC) with molecules containing Azide groups.
CAS Number
2375193-74-9
UNSPSC
12352005
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/dbco-nh-ch2-4cooh.html
Purity
98.15
Solubility
10 mM in DMSO
Smiles
OC(CCCCC(NCCC(N1CC2=C(C#CC3=C1C=CC=C3)C=CC=C2)=O)=O)=O
Molecular Formula
C24H24N2O4
Molecular Weight
404.46
Precautions
H302, H315, H319, H335
References & Citations
[1]An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Alkyl-Chain Linkers

Chemical Information

Dbco-NH-(CH2)4cooh
CAS Number2375193-74-9
PubChem CID146026086
IUPAC Name6-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-6-oxohexanoic acid
Molecular FormulaC24H24N2O4
Molecular Weight404.5
XLogP2.3
Topological Polar Surface Area86.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity692
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCCCC(=O)O
InChI
InChI=1S/C24H24N2O4/c27-22(11-5-6-12-24(29)30)25-16-15-23(28)26-17-20-9-2-1-7-18(20)13-14-19-8-3-4-10-21(19)26/h1-4,7-10H,5-6,11-12,15-17H2,(H,25,27)(H,29,30)
InChIKey
WHJBJOBCKOQKTD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dbco-NH-(CH2)4cooh
CAS: 2375193-74-9
CID: 146026086
Formula: C24H24N2O4
MW: 404.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.5
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass404.17360725
Monoisotopic Mass404.17360725
Topological Polar Surface Area86.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity692
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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