ATN-161 TFA salt
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MedKoo CAT#: 206976

CAS#: 904763-27-5 (TFA)

Description: ATN-161 is a small peptide antagonist of integrin alpha5beta1 with potential antineoplastic activity. ATN-161 selectively binds to and blocks the receptor for integrin alpha5beta1, thereby preventing integrin alpha5beta1 binding. This receptor blockade may result in inhibition of endothelial cell-cell interactions, endothelial cell-matrix interactions, angiogenesis, and tumor progression. Integrin alpha5beta1 is expressed on endothelial cells and plays a crucial role in endothelial cell adhesion and migration. Note: The Catalog number of ATN-161 TFA salt was changed from 200350B to 206976.


Chemical Structure

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ATN-161 TFA salt
CAS# 904763-27-5 (TFA)

Theoretical Analysis

MedKoo Cat#: 206976
Name: ATN-161 TFA salt
CAS#: 904763-27-5 (TFA)
Chemical Formula: C25H36F3N9O10S
Exact Mass:
Molecular Weight: 711.67
Elemental Analysis: C, 42.19; H, 5.10; F, 8.01; N, 17.71; O, 22.48; S, 4.50

Size Price Shipping out time Quantity
5mg USD 120 Same Day
10mg USD 190 Same Day
20mg USD 290 Same Day
50mg USD 450 Same Day
100mg USD 750 Same Day
200mg USD 1150 Same Day
500mg USD 1950 Same Day
1g USD 2750 Same Day
Inquire bulk and customized quantity

Pricing updated 2021-02-28. Prices are subject to change without notice.

ATN-161 TFA salt, purity > 98%, is in stock. The same day shipping out after order is received.

Related CAS #: 262438-43-7 (free base)   904763-27-5 (TFA)   904763-42-4 (HCl)   904763-50-4 (mesylate)   904763-58-2 (acetate)   904763-74-2 (sulfate)  

Synonym: ATN-161 TFA; ATN 161 TFA; ATN161 TFA; AcPHSCNNH2 TFA salt.

IUPAC/Chemical Name: (S)-2-((R)-2-((S)-2-((S)-2-((S)-1-acetylpyrrolidine-2-carboxamido)-3-(1H-imidazol-5-yl)propanamido)-3-hydroxypropanamido)-3-mercaptopropanamido)succinamide, trifluoroacetic acid

InChi Key: MCVJOWHOEOLJGI-LQCLSJOXSA-N

InChi Code: InChI=1S/C23H35N9O8S.C2HF3O2/c1-11(34)32-4-2-3-17(32)23(40)29-14(5-12-7-26-10-27-12)20(37)30-15(8-33)21(38)31-16(9-41)22(39)28-13(19(25)36)6-18(24)35;3-2(4,5)1(6)7/h7,10,13-17,33,41H,2-6,8-9H2,1H3,(H2,24,35)(H2,25,36)(H,26,27)(H,28,39)(H,29,40)(H,30,37)(H,31,38);(H,6,7)/t13-,14-,15-,16-,17-;/m0./s1

SMILES Code: O=C(N)[C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]1N(C(C)=O)CCC1)=O)CC2=CN=CN2)=O)CO)=O)CS)=O)CC(N)=O.O=C(O)C(F)(F)F

Appearance:
Solid powder

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:
Soluble in DMSO and water (7 mg/mL).

Shelf Life:
>2 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

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

Preparing Stock Solutions

The following data is based on the product molecular weight 711.67 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.

Select a batch to recalculate based on the batch molecular weight:
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

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1: Dai W, Yang T, Wang X, Wang J, Zhang X, Zhang Q. PHSCNK-Modified and doxorubicin-loaded liposomes as a dual targeting system to integrin-overexpressing tumor neovasculature and tumor cells. J Drug Target. 2010 May;18(4):254-63. PubMed PMID: 19824864.

2: Doñate F, Parry GC, Shaked Y, Hensley H, Guan X, Beck I, Tel-Tsur Z, Plunkett ML, Manuia M, Shaw DE, Kerbel RS, Mazar AP. Pharmacology of the novel antiangiogenic peptide ATN-161 (Ac-PHSCN-NH2): observation of a U-shaped dose-response curve in several preclinical models of angiogenesis and tumor growth. Clin Cancer Res. 2008 Apr 1;14(7):2137-44. PubMed PMID: 18381955.

3: Danese S, Sans M, Spencer DM, Beck I, Doñate F, Plunkett ML, de la Motte C, Redline R, Shaw DE, Levine AD, Mazar AP, Fiocchi C. Angiogenesis blockade as a new therapeutic approach to experimental colitis. Gut. 2007 Jun;56(6):855-62. Epub 2006 Dec 14. PubMed PMID: 17170016.

4: Chidlow JH Jr, Langston W, Greer JJ, Ostanin D, Abdelbaqi M, Houghton J, Senthilkumar A, Shukla D, Mazar AP, Grisham MB, Kevil CG. Differential angiogenic regulation of experimental colitis. Am J Pathol. 2006 Dec;169(6):2014-30. PubMed PMID: 17148665; PubMed Central PMCID: PMC1762465.

5: Khalili P, Arakelian A, Chen G, Plunkett ML, Beck I, Parry GC, Doñate F, Shaw DE, Mazar AP, Rabbani SA. A non-RGD-based integrin binding peptide (ATN-161) blocks breast cancer growth and metastasis in vivo. Mol Cancer Ther. 2006 Sep;5(9):2271-80. PubMed PMID: 16985061.

6: Cianfrocca ME, Kimmel KA, Gallo J, Cardoso T, Brown MM, Hudes G, Lewis N, Weiner L, Lam GN, Brown SC, Shaw DE, Mazar AP, Cohen RB. Phase 1 trial of the antiangiogenic peptide ATN-161 (Ac-PHSCN-NH(2)), a beta integrin antagonist, in patients with solid tumours. Br J Cancer. 2006 Jun 5;94(11):1621-6. PubMed PMID: 16705310; PubMed Central PMCID: PMC2361324.

7: Stoeltzing O, Liu W, Reinmuth N, Fan F, Parry GC, Parikh AA, McCarty MF, Bucana CD, Mazar AP, Ellis LM. Inhibition of integrin alpha5beta1 function with a small peptide (ATN-161) plus continuous 5-FU infusion reduces colorectal liver metastases and improves survival in mice. Int J Cancer. 2003 Apr 20;104(4):496-503. PubMed PMID: 12584749.



Additional Information

Note: The previous catalog number for this product was 200350b.