Name: Name:1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-2-[(4-isothiocyanatophenyl)methyl]-
Brand: AABLOCKS
SKU: AA001EXJ
Rating: 90 (10 reviews)

Catalog No.: AA001EXJ

147597-66-8 | 1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-2-[(4-isothiocyanatophenyl)methyl]-

Pack Size： 100mg

Purity： ≥95%

2 weeks

$2,508.00 $1,755.00

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Technical Information

Catalog Number: AA001EXJ

Chemical Name: 1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-2-[(4-isothiocyanatophenyl)methyl]-

CAS Number: 147597-66-8

Molecular Formula: C20H26N4O6S

Molecular Weight: 450.5086

MDL Number: MFCD20134098

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

Properties

Complexity: 679

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 31

Hydrogen Bond Acceptor Count: 11

Hydrogen Bond Donor Count: 3

Isotope Atom Count: 0

Rotatable Bond Count: 9

Undefined Atom Stereocenter Count: 1

Undefined Bond Stereocenter Count: 0

XLogP3: -4.5

Literature fold

Title: In vitro and in vivo evaluation of a 64Cu-labeled NOTA-Bn-SCN-Aoc-bombesin analogue in gastrin-releasing peptide receptor expressing prostate cancer.

Journal: Nuclear medicine and biology20120701

Title: Development of 68Ga-labeled mannosylated human serum albumin (MSA) as a lymph node imaging agent for positron emission tomography.

Journal: Nuclear medicine and biology20110401

Title: Development of a ¹⁷⁷Lu-labeled RGD derivative for targeting angiogenesis.

Journal: Cancer biotherapy & radiopharmaceuticals20101201

Title: Preparation of a promising angiogenesis PET imaging agent: 68Ga-labeled c(RGDyK)-isothiocyanatobenzyl-1,4,7-triazacyclononane-1,4,7-triacetic acid and feasibility studies in mice.

Journal: Journal of nuclear medicine : official publication, Society of Nuclear Medicine20080501