MedKoo Cat#: 129064 | Name: NOTA-NOC acetate

Description:

WARNING: This product is for research use only, not for human or veterinary use.

NOTA-NOC is a somatostatin receptor-targeting peptide conjugate, where NOC (1-Nal³-octreotide) is a somatostatin analog with high affinity for somatostatin receptor subtypes 2 and 5 (SSTR2, SSTR5), and NOTA is a chelator for radiometals such as ⁶⁸Ga, ⁶⁴Cu, or ¹⁷⁷Lu. When labeled with ⁶⁸Ga, [⁶⁸Ga]Ga-NOTA-NOC shows strong and specific binding to SSTR2-positive tumors, with reported IC₅₀ values in the low nanomolar range (e.g., ~1.9 nM for SSTR2). In vivo PET imaging studies in animal models and patients have demonstrated high tumor uptake, rapid blood clearance, and favorable tumor-to-background ratios, making it suitable for diagnostic imaging of neuroendocrine tumors. The pharmacokinetics and tumor-targeting efficiency are comparable to or slightly improved over the more commonly used DOTA-NOC analogs, depending on the radiometal and formulation.

Chemical Structure

NOTA-NOC acetate
NOTA-NOC acetate
CAS#2170388-37-9

Theoretical Analysis

MedKoo Cat#: 129064

Name: NOTA-NOC acetate

CAS#: 2170388-37-9

Chemical Formula: C65H87N13O15S2

Exact Mass: 1353.5900

Molecular Weight: 1354.61

Elemental Analysis: C, 57.63; H, 6.47; N, 13.44; O, 17.72; S, 4.73

Price and Availability

Related CAS #
No Data
Synonym
NOTA-NOC acetate; NOTA-NOC;
IUPAC/Chemical Name
2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-16-(naphthalen-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
InChi Key
FTKWKETZNGPCOI-LLBYOWAVSA-N
InChi Code
InChI=1S/C65H87N13O15S2/c1-39(80)52(36-79)72-64(92)54-38-95-94-37-53(73-60(88)49(29-41-13-4-3-5-14-41)68-55(82)33-76-23-25-77(34-56(83)84)27-28-78(26-24-76)35-57(85)86)63(91)71-50(30-43-17-12-16-42-15-6-7-18-45(42)43)62(90)70-51(31-44-32-67-47-20-9-8-19-46(44)47)61(89)69-48(21-10-11-22-66)59(87)75-58(40(2)81)65(93)74-54/h3-9,12-20,32,39-40,48-54,58,67,79-81H,10-11,21-31,33-38,66H2,1-2H3,(H,68,82)(H,69,89)(H,70,90)(H,71,91)(H,72,92)(H,73,88)(H,74,93)(H,75,87)(H,83,84)(H,85,86)/t39-,40-,48+,49-,50+,51-,52-,53+,54+,58+/m1/s1
SMILES Code
O=C(O)CN1CCN(CC(N[C@H](CC2=CC=CC=C2)C(N[C@@H]3C(N[C@@H](CC4=C5C=CC=CC5=CC=C4)C(N[C@H](CC6=CNC7=C6C=CC=C7)C(N[C@@H](CCCCN)C(N[C@@H]([C@H](O)C)C(N[C@H](C(N[C@@H]([C@H](O)C)CO)=O)CSSC3)=O)=O)=O)=O)=O)=O)=O)CCN(CC(O)=O)CC1
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 1,354.61 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

Dam JH, Langkjær N, Baun C, Olsen BB, Nielsen AY, Thisgaard H. Preparation and Evaluation of [18F]AlF-NOTA-NOC for PET Imaging of Neuroendocrine Tumors: Comparison to [68Ga]Ga-DOTA/NOTA-NOC. Molecules. 2022 Oct 12;27(20):6818. doi: 10.3390/molecules27206818. PMID: 36296411; PMCID: PMC9609173.