177943-89-4,MFCD09039058
Catalog No.:AA0025K8

177943-89-4 | L-Threonine, N-[[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-, cyclic (2→7)-disulfide, acetate (salt) (9CI)

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Purity
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Price(USD)
Quantity
  
1mg
≥ 95%
in stock  
$781.00   $547.00
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5mg
≥ 95%
in stock  
$2,418.00   $1,693.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0025K8
Chemical Name:
L-Threonine, N-[[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-, cyclic (2→7)-disulfide, acetate (salt) (9CI)
CAS Number:
177943-89-4
Molecular Formula:
C65H90N14O19S2
Molecular Weight:
1435.6225
MDL Number:
MFCD09039058
SMILES:
NCCCCC1NC(=O)C(NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(O)C)C(=O)NC(C(=O)O)C(O)C)NC(=O)C(Cc1ccccc1)NC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)Cc1c[nH]c2c1cccc2
Properties
Computed Properties
 
Complexity:
2700  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Heavy Atom Count:
100  
Hydrogen Bond Acceptor Count:
26  
Hydrogen Bond Donor Count:
17  
Rotatable Bond Count:
26  
XLogP3:
-9.3  

Literature

Title: N-terminal sugar conjugation and C-terminal Thr-for-Thr(ol) exchange in radioiodinated Tyr3-octreotide: effect on cellular ligand trafficking in vitro and tumor accumulation in vivo.

Journal: Journal of medicinal chemistry 20050421

Title: Jong M, et, al. Combination radionuclide therapy using 177Lu- and 90Y-labeled somatostatin analogs. J Nucl Med. 2005 Jan;46 Suppl 1:13S-7S.

Title: Gains JE, et, al. 68Ga-DOTATATE and 123I-mIBG as imaging biomarkers of disease localisation in metastatic neuroblastoma: implications for molecular radiotherapy. Nucl Med Commun. 2020 Aug 10.

Title: Breeman WAP, et, al. Optimising conditions for radiolabelling of DOTA-peptides with 90Y, 111In and 177Lu at high specific activities. Eur J Nucl Med Mol Imaging. 2003 Jun;30(6):917-20.

Title: Reubi JC, et, al. Affinity profiles for human somatostatin receptor subtypes SST1-SST5 of somatostatin radiotracers selected for scintigraphic and radiotherapeutic use. Eur J Nucl Med. 2000 Mar;27(3):273-82.

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SDS
Tags:177943-89-4 Molecular Formula|177943-89-4 MDL|177943-89-4 SMILES|177943-89-4 L-Threonine, N-[[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-, cyclic (2→7)-disulfide, acetate (salt) (9CI)
Catalog No.: AA0025K8
177943-89-4,MFCD09039058
177943-89-4 | L-Threonine, N-[[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-, cyclic (2→7)-disulfide, acetate (salt) (9CI)
Pack Size: 1mg
Purity: ≥ 95%
in stock
$781.00 $547.00
Pack Size: 5mg
Purity: ≥ 95%
in stock
$2,418.00 $1,693.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA0025K8
Chemical Name: L-Threonine, N-[[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-, cyclic (2→7)-disulfide, acetate (salt) (9CI)
CAS Number: 177943-89-4
Molecular Formula: C65H90N14O19S2
Molecular Weight: 1435.6225
MDL Number: MFCD09039058
SMILES: NCCCCC1NC(=O)C(NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(O)C)C(=O)NC(C(=O)O)C(O)C)NC(=O)C(Cc1ccccc1)NC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)Cc1c[nH]c2c1cccc2
Properties
Complexity: 2700  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 10  
Heavy Atom Count: 100  
Hydrogen Bond Acceptor Count: 26  
Hydrogen Bond Donor Count: 17  
Rotatable Bond Count: 26  
XLogP3: -9.3  
Literature fold

Title: N-terminal sugar conjugation and C-terminal Thr-for-Thr(ol) exchange in radioiodinated Tyr3-octreotide: effect on cellular ligand trafficking in vitro and tumor accumulation in vivo.

Journal: Journal of medicinal chemistry20050421

Title: Jong M, et, al. Combination radionuclide therapy using 177Lu- and 90Y-labeled somatostatin analogs. J Nucl Med. 2005 Jan;46 Suppl 1:13S-7S.

Title: Gains JE, et, al. 68Ga-DOTATATE and 123I-mIBG as imaging biomarkers of disease localisation in metastatic neuroblastoma: implications for molecular radiotherapy. Nucl Med Commun. 2020 Aug 10.

Title: Breeman WAP, et, al. Optimising conditions for radiolabelling of DOTA-peptides with 90Y, 111In and 177Lu at high specific activities. Eur J Nucl Med Mol Imaging. 2003 Jun;30(6):917-20.

Title: Reubi JC, et, al. Affinity profiles for human somatostatin receptor subtypes SST1-SST5 of somatostatin radiotracers selected for scintigraphic and radiotherapeutic use. Eur J Nucl Med. 2000 Mar;27(3):273-82.

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