CAS 127985-74-4|p-SCN-Bn-DOTA

Introduction：Basic information about CAS 127985-74-4|p-SCN-Bn-DOTA, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. p-SCN-Bn-DOTA BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	p-SCN-Bn-DOTA
CAS Number	127985-74-4	Molecular Weight	551.61
Density	/	Boiling Point	/
Molecular Formula	C₂₄H₃₃N₅O₈S	Melting Point	/
MSDS	/	Flash Point	/

Names

Name	2-[4,7,10-tris(carboxymethyl)-6-[(4-isothiocyanatophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Synonym	More Synonyms

p-SCN-Bn-DOTA BiologicalActivity

Description	p-SCN-Bn-DOTA is a bifunctional chelating agent. p-SCN-Bn-DOTA can simultaneously chelate radionuclides and link monoclonal antibody for radioimmunotherapy of tumor[1][2].
Related Catalog	Research Areas >>CancerSignaling Pathways >>Others >>Others
In Vitro	p-SCN-Bn-DOTA is complexed with 5 different metal ions: In(III), Y(III), Lu(III), Gd(III) and Cu(II)[2].
References	[1]. Vera DRB, et, al. Preclinical evaluation of (177)lu-nimotuzumab: a potential tool for radioimmunotherapy of epidermal growth factor receptor-overexpressing tumors. Cancer Biother Radiopharm. 2011 Jun;26(3):287-97. [2]. Giannini G, et, al. Synthesis and preliminary in vitro evaluation of DOTA-Tenatumomab conjugates for theranostic applications in tenascin expressing tumors. Bioorg Med Chem. 2019 Aug 1;27(15):3248-3253.

Chemical & Physical Properties

Molecular Formula	C₂₄H₃₃N₅O₈S
Molecular Weight	551.61
Exact Mass	551.20500
PSA	206.61000
InChIKey	UDOPJKHABYSVIX-UHFFFAOYSA-N
SMILES	O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)C(Cc2ccc(N=C=S)cc2)CN(CC(=O)O)CC1

Synonyms

UNII-13KT123BYW

2-(4-isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid

cDOTA-Bnz-NCS

p-isothiocyanatobenzyl-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid,2-((4-isothiocyanatophenyl)methyl)

2-(p-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraaceticacid

p-SCN-Bz-DOTA

p-SCN-Bn-DOTA

2-(p-isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid

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