F-Amidine (trifluoroacetate salt)

Base Information

Chemical Name:F-Amidine (trifluoroacetate salt)
CAS No.:877617-46-4
Molecular Formula:C₂HF₃O₂*C₁₄H₁₉FN₄O₂
Molecular Weight:408.353
Hs Code.:
ChEMBL ID:CHEMBL1910973
Mol file:877617-46-4.mol

Synonyms:F-Amidine (trifluoroacetate salt);877617-46-4;N-[(2S)-1-amino-5-[(1-amino-2-fluoroethylidene)amino]-1-oxopentan-2-yl]benzamide;2,2,2-trifluoroacetic acid;CHEMBL1910973;SCHEMBL18730598;N-[(1S)-1-(aminocarbonyl)-4-[(2-fluoro-1-iminoethyl)amino]butyl]-benzamide, 2,2,2-trifluoroacetate

Suppliers and Price of F-Amidine (trifluoroacetate salt)

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Cayman Chemical
F-Amidine (trifluoroacetate salt) ≥95%
1mg
$ 216.00

Cayman Chemical
F-Amidine (trifluoroacetate salt) ≥95%
500μg
$ 123.00

Cayman Chemical
F-Amidine (trifluoroacetate salt) ≥95%
250μg
$ 64.00

Cayman Chemical
F-Amidine (trifluoroacetate salt) ≥95%
100μg
$ 28.00

AK Scientific
F-Amidine(trifluoroacetatesalt)
1mg
$ 370.00

Total 17 raw suppliers

Chemical Property of F-Amidine (trifluoroacetate salt)

Chemical Property:

PSA：145.37000
LogP:2.80200
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:408.14206778
Heavy Atom Count:28
Complexity:465

Purity/Quality:

99% ^*data from raw suppliers

F-Amidine (trifluoroacetate salt) ≥95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)NC(CCCN=C(CF)N)C(=O)N.C(=O)(C(F)(F)F)O
Isomeric SMILES:C1=CC=C(C=C1)C(=O)N[C@@H](CCCN=C(CF)N)C(=O)N.C(=O)(C(F)(F)F)O
Uses Peptidyl arginine deiminase 4 (PAD4, Protein arginine deiminase 4) catalyzes the post-translational modification of arginine residues on histones to form citrulline, which plays a large role in regulating gene expression. Dysregulated PAD4 activity has been implicated in cancer and rheumatoid arthritis. F-amidine inhibits PAD4 activity with an IC50 value of 21.6 μM in an in vitro activity assay. It irreversibly inactivates (kinact/KI = 3,000 M-1min-1) PAD4 by covalently modifying an active site cysteine that is important for its catalytic activity. F-amidine also inhibits PAD1 and PAD3 with IC50 values of 29.5 and 350 μM, respectively. F-amidine is cytotoxic to HL-60, MCF-7, and HT-29 cancer cell lines (IC50s = 0.5, 0.5 and 1 μM, respectively).[Cayman Chemical]

Technology Process of F-Amidine (trifluoroacetate salt)

There total 1 articles about F-Amidine (trifluoroacetate salt) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: