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MMP-8/MMP-26 Fluorogenic Substrate

CAT: 0013-GTR19154204-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154204-02Size:250 mg
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Description
Dnp-PLAYWAR is a fluorogenic substrate for matrix metalloproteinase-8 (MMP-8) and MMP-26.The activity of MMP-8 and MMP-26 can be quantified by measuring tryptophan fluorescence that is unquenched upon peptide hydrolysis that removes the N-terminal dinitro
CAS Number
135662-05-4
Field of Research
Musculoskeletal & Connective Tissue Research
Purity
>98%
Smiles
O=C ([C@@H]1CCCN1C1C=CC (=CC=1[N+] (=O) [O-]) [N+] (=O) [O-]) N[C@H] (C (N[C@@H] (C) C (N[C@H] (C (N[C@H] (C (N[C@@H] (C) C (N[C@H] (C (=O) O) CCC/N=C (\N) /N) =O) =O) CC1=CNC2C=CC=CC1=2) =O) CC1C=CC (=CC=1) O) =O) =O) CC (C) C
Molecular Formula
C49H63N13O13
Molecular Weight
1042.10383057594
Notes
For research use only.

Chemical Information

MMP-8/MMP-26 Fluorogenic Substrate
CAS Number135662-05-4
PubChem CID134820575
IUPAC Name(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-(2,4-dinitrophenyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]pentanoic acid
Molecular FormulaC49H63N13O13
Molecular Weight1042.1
XLogP3.4
Topological Polar Surface Area407
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count24
Heavy Atom Count75
Formal Charge0
Complexity2040
SMILES
C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]4CCCN4C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C49H63N13O13/c1-26(2)21-36(59-47(69)40-12-8-20-60(40)39-18-15-31(61(72)73)24-41(39)62(74)75)44(66)54-28(4)43(65)57-37(22-29-13-16-32(63)17-14-29)46(68)58-38(23-30-25-53-34-10-6-5-9-33(30)34)45(67)55-27(3)42(64)56-35(48(70)71)11-7-19-52-49(50)51/h5-6,9-10,13-18,24-28,35-38,40,53,63H,7-8,11-12,19-23H2,1-4H3,(H,54,66)(H,55,67)(H,56,64)(H,57,65)(H,58,68)(H,59,69)(H,70,71)(H4,50,51,52)/t27-,28-,35-,36-,37-,38-,40-/m0/s1
InChIKey
HWFFLEVHRHZZOB-XMMFTZQFSA-N
Chemical Structure
2D Structure
2D structure of MMP-8/MMP-26 Fluorogenic Substrate
CAS: 135662-05-4
CID: 134820575
Formula: C49H63N13O13
MW: 1042.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1042.1
XLogP33.4
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count24
Exact Mass1041.46682912
Monoisotopic Mass1041.46682912
Topological Polar Surface Area407 Ų
Heavy Atom Count75
Formal Charge0
Complexity2040
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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