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DBCO-NHCO-PEG5-NHS ester - 98%, high purity , CAS No.1378531-80-6

COA

Grade & Purity:

≥98%

Cas Number: 1378531-80-6
Molecular Weight: 693.74
PubChem CID: 86580458

In stock

Item Number

D338360

Grouped product items
SKU	Size	Availability	Price
D338360-10mg	10mg	2	$160.90
D338360-25mg	25mg	2	$332.90
D338360-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$741.90
D338360-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,375.90

View related series

Alkyne PEG (559) Biotin PEG (274) Bis-PEG-acid (43) DBCO PEG (216) m-PEG (327) Maleimide Linkers (295) PEG Azide (539) PEG-X-PEG (243) PROTAC (2077) PROTAC Linkers (1898)

Basic Description

Synonyms	DBCO-PEG5-NHS ester \| DBCO-PEG(5)-NHS \| DBCO-NH-PEG5-NHS ester
Specifications & Purity	≥98%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	DBCO-NHCO-PEG5-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs. DBCO-NHCO-PEG5-NHS ester is a click chemistry reagent, it contains a DBCO group that can undergo strain-promoted alkyne-azide cycloaddition (SPAAC) with molecules containing Azide groups.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Beta amino acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives
Direct Parent	Beta amino acids and derivatives
Alternative Parents	Pyrrolidine-2-ones Benzenoids Tertiary carboxylic acid amides Dicarboximides Secondary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Beta amino acid or derivatives - Pyrrolidone - 2-pyrrolidone - Benzenoid - Dicarboximide - Pyrrolidine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Lactam - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organoheterocyclic compound - Azacycle - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
INCHI	InChI=1S/C36H43N3O11/c40-32(37-16-13-33(41)38-27-30-7-2-1-5-28(30)9-10-29-6-3-4-8-31(29)38)14-17-45-19-21-47-23-25-49-26-24-48-22-20-46-18-15-36(44)50-39-34(42)11-12-35(39)43/h1-8H,11-27H2,(H,37,40)
InChIKey	VGKLBFTYZNBCQG-UHFFFAOYSA-N
Smiles	C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
Isomeric SMILES	C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
Molecular Weight	693.74
Reaxy-Rn	23144325
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23144325&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
A2419322	Certificate of Analysis	Jan 12, 2024	D338360
A2419324	Certificate of Analysis	Jan 12, 2024	D338360
A2419321	Certificate of Analysis	Jan 12, 2024	D338360
A2419323	Certificate of Analysis	Jan 12, 2024	D338360
A2514125	Certificate of Analysis	Jan 12, 2024	D338360
A2419325	Certificate of Analysis	Jan 12, 2024	D338360

Chemical and Physical Properties

Solubility	Acetonitrile (Slightly), Chloroform (Slightly)
Sensitivity	Hygroscopic
Molecular Weight	693.700 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	23
Exact Mass	693.29 Da
Monoisotopic Mass	693.29 Da
Topological Polar Surface Area	159.000 Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	1170.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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