Mca-(endo-1a-Dap(Dnp))-TNF-α (-5 to +6) amide (human)
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Mca-(endo-1a-Dap(Dnp))-TNF-α (-5 to +6) amide (human)

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Mca-(endo-1a-Dap(Dnp))-TNF-α (-5 to +6) amide (human), a fluorogenic (FRET) peptide substrate, is used for the tumor necrosis factor (TNF) converting enzyme (TACE, ADAM-17 endopeptidase).

Category
Others
Catalog number
BAT-015209
CAS number
192723-42-5
Molecular Formula
C69H103N23O24
Molecular Weight
1638.72
IUPAC Name
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(2,4-dinitroanilino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-(7-methoxy-2-oxochromen-4-yl)acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]pentanediamide
Synonyms
Mca-(endo-1a-Dap(Dnp))-TNF-a (-5 to +6) amide (human); Mca-Pro-Leu-Ala-Gln-Ala-Val-Dap(Dnp)-Arg-Ser-Ser-Ser-Arg-NH2; L-Argininamide, 1-[(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)acetyl]-L-prolyl-L-leucyl-L-alanyl-L-glutaminyl-L-alanyl-L-valyl-3-[(2,4-dinitrophenyl)amino]-L-alanyl-L-arginyl-L-seryl-L-seryl-L-seryl-; 1-[(7-Methoxy-2-oxo-2H-chromen-4-yl)acetyl]-L-prolyl-L-leucyl-L-alanyl-L-glutaminyl-L-alanyl-L-valyl-3-[(2,4-dinitrophenyl)amino]-L-alanyl-L-arginyl-L-seryl-L-seryl-L-seryl-L-argininamide
Appearance
Solid
Purity
≥95% by HPLC
Density
1.56±0.1 g/cm3 (Predicted)
Sequence
Mca-PLAQAV-Dpa-RSSSR-NH2
Storage
Store at -20°C
Solubility
Soluble in Acetonitrile, Water
InChI
InChI=1S/C69H103N23O24/c1-32(2)23-44(84-66(109)49-13-10-22-90(49)53(97)24-36-25-54(98)116-51-27-38(115-7)15-16-39(36)51)61(104)80-34(5)57(100)82-43(18-19-52(70)96)59(102)79-35(6)58(101)89-55(33(3)4)67(110)85-45(28-78-40-17-14-37(91(111)112)26-50(40)92(113)114)62(105)83-42(12-9-21-77-69(74)75)60(103)86-47(30-94)64(107)88-48(31-95)65(108)87-46(29-93)63(106)81-41(56(71)99)11-8-20-76-68(72)73/h14-17,25-27,32-35,41-49,55,78,93-95H,8-13,18-24,28-31H2,1-7H3,(H2,70,96)(H2,71,99)(H,79,102)(H,80,104)(H,81,106)(H,82,100)(H,83,105)(H,84,109)(H,85,110)(H,86,103)(H,87,108)(H,88,107)(H,89,101)(H4,72,73,76)(H4,74,75,77)/t34-,35-,41-,42-,43-,44-,45-,46-,47-,48-,49-,55-/m0/s1
InChI Key
QWPFCDHLHMOCKZ-ZZLDSPSDSA-N
Canonical SMILES
CC(C)CC(C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C2CCCN2C(=O)CC3=CC(=O)OC4=C3C=CC(=C4)OC
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