Name: Name:1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraaceticacid, 2-[(4-isothiocyanatophenyl)methyl]-
Brand: Angene
SKU: AG000XNK
Rating: 90 (10 reviews)

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraaceticacid, 2-[(4-isothiocyanatophenyl)methyl]-

CAS No.:

127985-74-4

Catalog Number:

AG000XNK

Molecular Formula:

C24H33N5O8S

Molecular Weight:

551.6125

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Purity

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Product Description

Catalog Number:

AG000XNK

Chemical Name:

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraaceticacid, 2-[(4-isothiocyanatophenyl)methyl]-

CAS Number:

127985-74-4

Molecular Formula:

C24H33N5O8S

Molecular Weight:

551.6125

MDL Number:

MFCD11112156

IUPAC Name:

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

InChI:

InChI=1S/C24H33N5O8S/c30-21(31)13-26-5-6-27(14-22(32)33)9-10-29(16-24(36)37)20(12-28(8-7-26)15-23(34)35)11-18-1-3-19(4-2-18)25-17-38/h1-4,20H,5-16H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)

InChI Key:

UDOPJKHABYSVIX-UHFFFAOYSA-N

SMILES:

S=C=Nc1ccc(cc1)CC1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

Properties

Complexity:

863

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

551.205g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

551.615g/mol

Monoisotopic Mass:

551.205g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

207A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-7.2

Literature

Title	Journal
In vitro and in vivo comparison of DTPA- and DOTA-conjugated antiferritin monoclonal antibody for imaging and therapy of pancreatic cancer.	Nuclear medicine and biology 20070401
PET imaging of soluble yttrium-86-labeled carbon nanotubes in mice.	PloS one 20070101
90Y Labeling of monoclonal antibody MOv18 and preclinical validation for radioimmunotherapy of human ovarian carcinomas.	Cancer immunology, immunotherapy : CII 20051201
Targeted actinium-225 in vivo generators for therapy of ovarian cancer.	Cancer research 20030815