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Cathepsin D and E FRET Substrate

CAT: 0931-T37504-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T37504-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
839730-93-7
Target
Cysteine Protease
Related Pathways
Proteases/Proteasome
Bioactivity
Mca-GKPILFFRL-Dpa-r-amide, FRET substrate for cathepsin D and E. Also cleaved by napsin A.
Smiles
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)Cc1cc(=O)oc2cc(OC)ccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNc1ccc(cc1N(=O)=O)N(=O)=O)C(=O)N[C@H](CCCNC(N)=N)C(N)=O
Molecular Formula
C85H122N22O19
Molecular Weight
1756.046
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mca-Gly-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Lys(Dnp)-D-Arg-NH2 Trifluoroacetate
CAS Number839730-93-7
PubChem CID145707649
IUPAC Name(2S)-N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-(2,4-dinitroanilino)-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-[(2S)-6-amino-2-[[2-[(7-methoxy-2-oxochromene-4-carbonyl)amino]acetyl]amino]hexanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
Molecular FormulaC86H121F3N22O21
Molecular Weight1856.0
Topological Polar Surface Area681
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count28
Rotatable Bond Count53
Heavy Atom Count132
Formal Charge0
Complexity3750
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)N[C@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)CNC(=O)C5=CC(=O)OC6=C5C=CC(=C6)OC.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C84H120N22O19.C2HF3O2/c1-8-50(6)71(103-80(117)66-30-21-39-104(66)82(119)61(27-15-17-35-85)95-69(107)47-94-73(110)56-46-70(108)125-68-45-54(124-7)32-33-55(56)68)81(118)102-63(41-49(4)5)77(114)100-65(43-52-24-13-10-14-25-52)79(116)101-64(42-51-22-11-9-12-23-51)78(115)98-60(29-20-38-93-84(89)90)75(112)99-62(40-48(2)3)76(113)97-59(74(111)96-58(72(86)109)28-19-37-92-83(87)88)26-16-18-36-91-57-34-31-53(105(120)121)44-67(57)106(122)123;3-2(4,5)1(6)7/h9-14,22-25,31-34,44-46,48-50,58-66,71,91H,8,15-21,26-30,35-43,47,85H2,1-7H3,(H2,86,109)(H,94,110)(H,95,107)(H,96,111)(H,97,113)(H,98,115)(H,99,112)(H,100,114)(H,101,116)(H,102,118)(H,103,117)(H4,87,88,92)(H4,89,90,93);(H,6,7)/t50-,58+,59-,60-,61-,62-,63-,64-,65-,66-,71-;/m0./s1
InChIKey
GFKBFEIGZWGXJJ-YUPCDROESA-N
Chemical Structure
2D Structure
2D structure of Mca-Gly-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Lys(Dnp)-D-Arg-NH2 Trifluoroacetate
CAS: 839730-93-7
CID: 145707649
Formula: C86H121F3N22O21
MW: 1856.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1856.0
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count28
Rotatable Bond Count53
Exact Mass1854.90287344
Monoisotopic Mass1854.90287344
Topological Polar Surface Area681 Ų
Heavy Atom Count132
Formal Charge0
Complexity3750
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-P2498Cathepsin D and E FRET Substrate
GTR18919159-01Cathepsin D and E FRET Substrate acetate
HY-P2498A-01Cathepsin D and E FRET Substrate (acetate)
CRB1100420-01Cathepsin G FRET substrate [5-FAM]/[6-TAMRA]
CRB1100420-01Cathepsin G FRET substrate [5-FAM]/[6-TAMRA] - (Fluorescent Peptides)
MBS5785213Cathepsin D and E FRET Substrate acetate(839730-93-7 Free base)
GTR19030008-01Cathepsin D and E FRET Substrate acetate (839730-93-7 Free base)
MBS517831-013CLpro FRET Substrate
MBS517840-01PLpro FRET Substrate
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