Azido-PEG4-Ala-Ala-Asn(Trt)-PAB | 2055042-67-4

Catelog Number	R14-0026
Category	Azides
Molecular Formula	C47H58N8O10
Molecular Weight	895.0

Catalog Number	Size	Price	Quantity
R14-0026	--	$--

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Product Introduction

Azido-PEG4-Ala-Ala-Asn(Trt)-PAB is a unique peptide cleavable ADC linker for antibody-drug-conjugation, Azido group is very reactive toward DBCO, BCN or other Alkyne groups, called click chemistry. The trt protecting group can be removed under acidic conditions. The hydrophilic PEG linker increases the water solubility of the compound.

Chemical Information
Synonyms	(2S)-2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]propanoyl]amino]propanoyl]amino]-N-[4-(hydroxymethyl)phenyl]-N'-tritylbutanediamide; (S)-2-((17S,20S)-1-azido-17,20-dimethyl-15,18-dioxo-3,6,9,12-tetraoxa-16,19-diazahenicosan-21-amido)-N1-(4-(hydroxymethyl)phenyl)-N4-tritylsuccinamide
Purity	98%
IUPAC Name	(2S)-2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]propanoyl]amino]propanoyl]amino]-N-[4-(hydroxymethyl)phenyl]-N'-tritylbutanediamide
Canonical SMILES	CC(C(=O)NC(C)C(=O)NC(CC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)CO)NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-]
InChI	InChI=1S/C47H58N8O10/c1-34(50-42(57)22-24-62-26-28-64-30-31-65-29-27-63-25-23-49-55-48)44(59)51-35(2)45(60)53-41(46(61)52-40-20-18-36(33-56)19-21-40)32-43(58)54-47(37-12-6-3-7-13-37,38-14-8-4-9-15-38)39-16-10-5-11-17-39/h3-21,34-35,41,56H,22-33H2,1-2H3,(H,50,57)(H,51,59)(H,52,61)(H,53,60)(H,54,58)/t34-,35-,41-/m0/s1
InChI Key	GGYJWDMIACSQCA-FRHGLMEDSA-N

Product Specification
Storage	-20 °C

Computed Properties
XLogP3	3.3
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	29
Exact Mass	894.42759008 g/mol
Monoisotopic Mass	894.42759008 g/mol
Topological Polar Surface Area	217Å²
Heavy Atom Count	65
Formal Charge	0
Complexity	1430
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes