Mca-VDQVDGW-Lys(Dnp)-NH2

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Mca-VDQVDGW-Lys(Dnp)-NH2

Mca-VDQVDGW-Lys(Dnp)-NH2

Catalog Number A18-0039
Category Fluorescent Enzyme Substrates
Molecular Formula C60H74N14O21
Molecular Weight 1327.3
Catalog Number Size Price Quantity
A18-0039 -- $--

Product Introduction

Mca-VDQVDGW-Lys(Dnp)-NH2 is a fluorogenic substrate for caspase-7. It is cleaved by caspase-7 to release the fluorescent moiety 7-methoxycoumarin-4-acetyl (Mca), which can be used to quantify caspase-7 activity.

Chemical Information

Synonyms Caspase-7 Fluorogenic Substrate I; (3S,6S,9S,12S,18S,21S)-18-((1H-indol-3-yl)methyl)-6-(3-amino-3-oxopropyl)-21-carbamoyl-12-(carboxymethyl)-25-((2,4-dinitrophenyl)amino)-9-isopropyl-3-((S)-2-(2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetamido)-3-methylbutanamido)-4,7,10,13,16,19-hexaoxo-5,8,11,14,17,20-hexaazapentacosanoic acid
Purity ≥95%
IUPAC Name 3-[[(2S)-2-[[5-amino-2-[[(2S)-3-carboxy-2-[[2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-4-[[2-[[1-[[(2S)-1-amino-6-(2,4-dinitroanilino)-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid
Canonical SMILES CC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCCNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)N)NC(=O)CC4=CC(=O)OC5=C4C=CC(=C5)OC
InChI InChI=1S/C60H74N14O21/c1-29(2)52(71-47(76)21-31-22-51(82)95-45-24-34(94-5)14-15-36(31)45)59(88)70-43(26-50(80)81)58(87)68-40(17-18-46(61)75)56(85)72-53(30(3)4)60(89)69-42(25-49(78)79)55(84)65-28-48(77)66-41(20-32-27-64-37-11-7-6-10-35(32)37)57(86)67-39(54(62)83)12-8-9-19-63-38-16-13-33(73(90)91)23-44(38)74(92)93/h6-7,10-11,13-16,22-24,27,29-30,39-43,52-53,63-64H,8-9,12,17-21,25-26,28H2,1-5H3,(H2,61,75)(H2,62,83)(H,65,84)(H,66,77)(H,67,86)(H,68,87)(H,69,89)(H,70,88)(H,71,76)(H,72,85)(H,78,79)(H,80,81)/t39-,40?,41?,42?,43-,52?,53-/m0/s1
InChI Key IAEXPKQPOUYJTI-UQRVRJOKSA-N
  • Product Specification
Storage Store at -20°C

Computed Properties

XLogP3 1.2
Hydrogen Bond Donor Count 14
Hydrogen Bond Acceptor Count 22
Rotatable Bond Count 36
Exact Mass 1326.51529542 g/mol
Monoisotopic Mass 1326.51529542 g/mol
Topological Polar Surface Area 549Ų
Heavy Atom Count 95
Formal Charge 0
Complexity 2850
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 4
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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