Gly-Gly-Gly-PEG4-methyltetrazine | 2353409-82-0

Name: Gly-Gly-Gly-PEG4-methyltetrazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Product Introduction

Gly-Gly-Gly-PEG4-methyltetrazine is a cleavable 4 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs).

Chemical Information
Synonyms	-(2-Amino-2-oxoethyl)-2-(2-aminoacetamido)-N-(2-(2-(2-(2-(4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy)ethoxy)ethoxy)ethoxy)ethyl)acetamide
Purity	≥95%
Shelf Life	0-4°C for short term (days to weeks), or -20°C for long term (months).
IUPAC Name	2-amino-N-[2-[[2-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
Canonical SMILES	CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCN(CC(=O)N)C(=O)CNC(=O)CN
InChI	InChI=1S/C23H34N8O7/c1-17-27-29-23(30-28-17)18-2-4-19(5-3-18)38-13-12-37-11-10-36-9-8-35-7-6-31(16-20(25)32)22(34)15-26-21(33)14-24/h2-5H,6-16,24H2,1H3,(H2,25,32)(H,26,33)
InChI Key	PGWGMMQDCYUJOV-UHFFFAOYSA-N
Solubility	10 mm in DMSO
Appearance	Solid

Storage

-20°C

Computed Properties
XLogP3	-2.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	19
Exact Mass	534.25504545 g/mol
Monoisotopic Mass	534.25504545 g/mol
Topological Polar Surface Area	202Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	674
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes