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Methyltetrazine-DBCO

CAT: 0013-GTR19226344-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226344-02Size:500 mg
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Description
Methyltetrazine-DBCO is a non-cleavable chemical linker designed for constructing antibody-drug conjugates (ADCs) . It enables stable, bioorthogonal conjugation for targeted drug delivery, facilitating both in vitro and in vivo research in oncology and bioconjugation studies.
CAS Number
1802238-48-7
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (NCC (C (=O) NCCCOC=1C=CC (=CC1) C2=NN=C (N=N2) C) S (=O) (=O) O) CCC (=O) N3C=4C=CC=CC4C#CC=5C=CC=CC5C3
Molecular Formula
C34H33N7O7S
Molecular Weight
683.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyltetrazine-DBCO
CAS Number1802238-48-7
PubChem CID86580461
IUPAC Name3-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]-1-[3-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]propylamino]-1-oxopropane-2-sulfonic acid
Molecular FormulaC34H33N7O7S
Molecular Weight683.7
XLogP1.1
Topological Polar Surface Area202
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Heavy Atom Count49
Formal Charge0
Complexity1300
SMILES
CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCCNC(=O)C(CNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53)S(=O)(=O)O
InChI
InChI=1S/C34H33N7O7S/c1-23-37-39-33(40-38-23)26-13-15-28(16-14-26)48-20-6-19-35-34(44)30(49(45,46)47)21-36-31(42)17-18-32(43)41-22-27-9-3-2-7-24(27)11-12-25-8-4-5-10-29(25)41/h2-5,7-10,13-16,30H,6,17-22H2,1H3,(H,35,44)(H,36,42)(H,45,46,47)
InChIKey
YYYPWVPKWWTZRY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyltetrazine-DBCO
CAS: 1802238-48-7
CID: 86580461
Formula: C34H33N7O7S
MW: 683.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight683.7
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Exact Mass683.21621759
Monoisotopic Mass683.21621759
Topological Polar Surface Area202 Ų
Heavy Atom Count49
Formal Charge0
Complexity1300
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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