Ac-LEHD-AFC

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Ac-LEHD-AFC

Ac-LEHD-AFC | 210345-03-2

Catelog Number A18-0001
Category Fluorescent Enzyme Substrates
Molecular Formula C33H38F3N7O11
Molecular Weight 765.69
Catalog Number Size Price Quantity
A18-0001 -- $--

Product Introduction

Ac-LEHD-AFC is a fluorogenic substrate for caspase-4, 5 and 9.

Chemical Information

Synonyms N-acetyl-L-leucyl-L-α-glutamyl-L-histidyl-N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-L-α-asparagine; N-Acetyl-Leu-Glu-His-Asp-7-amino-4-Trifluoromethylcoumarin; Caspase-9 substrate; L-α-Asparagine, N-acetyl-L-leucyl-L-α-glutamyl-L-histidyl-N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-; (4S,7S,10S,13S)-10-((1H-imidazol-5-yl)methyl)-7-(2-carboxyethyl)-4-isobutyl-2,5,8,11-tetraoxo-13-((2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl)carbamoyl)-3,6,9,12-tetraazapentadecan-15-oic acid
Purity ≥95%
IUPAC Name (4S)-4-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-3-carboxy-1-oxo-1-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Canonical SMILES CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(=O)O)C(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)NC(=O)C
InChI InChI=1S/C33H38F3N7O11/c1-15(2)8-22(39-16(3)44)31(52)41-21(6-7-26(45)46)29(50)42-23(9-18-13-37-14-38-18)32(53)43-24(12-27(47)48)30(51)40-17-4-5-19-20(33(34,35)36)11-28(49)54-25(19)10-17/h4-5,10-11,13-15,21-24H,6-9,12H2,1-3H3,(H,37,38)(H,39,44)(H,40,51)(H,41,52)(H,42,50)(H,43,53)(H,45,46)(H,47,48)
InChI Key HULKIXRFKRCRHD-ZJZGAYNASA-N
Solubility Soluble in DMF, DMSO
Density 1.457±0.06 g/cm3 (Predicted)
Appearance Slightly Yellow Powder
Boiling Point 1211.9±65.0°C (Predicted)

Product Specification

Excitation 400 nm
Emission 505 nm
Storage Store at -20°C

Computed Properties

XLogP3 0.2
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 18
Exact Mass 765.25813954 g/mol
Monoisotopic Mass 765.25813954 g/mol
Topological Polar Surface Area 275Ų
Heavy Atom Count 54
Formal Charge 0
Complexity 1480
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

Patents

Publication NumberTitlePriority Date
US-2016058847-A1 IS100- A Highly Effective Enzyme Principle For Use In Dermal Therapeutics, And For Health And Beauty 2014-09-03
WO-2004100888-A2 N-thiolated azetidinones and anti-cancer use thereof 2003-05-06
US-2004167115-A1 Methods for preventing and treating cancer using N-thiolated beta-lactam compounds and analogs thereof 2002-05-06
US-2006160787-A1 Methods for preventing and treating cancer using N-thiolated beta-lactam compounds and analogs thereof 2002-05-06
US-7026472-B2 Methods for preventing and treating cancer using N-thiolated β-lactam compounds and analogs thereof 2002-05-06
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