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Tkip

CAT: 0804-HY-P10840Size: 1 EachDry Ice: NoHazardous: No
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Description
Tkip is a JAK2 specific inhibitor. Tkip can bind the JAK2 autophosphorylation site, inhibit the JAK2 autophosphorylation and the phosphorylation of the IFN-γ receptor subunit IFNGR-1. Tkip inhibits the antiviral activity of IFN-γ and the expression of MHC Class I molecules. Tkip can be used to study the IFN-γ signaling pathway[1].
CAS Number
716361-65-8
UNSPSC
12352209
Target
JAK; MHC
Type
Reference compound
Related Pathways
Epigenetics; Immunology/Inflammation; JAK/STAT Signaling; Protein Tyrosine Kinase/RTK; Stem Cell/Wnt
Applications
COVID-19-anti-virus
Field of Research
Inflammation/Immunology
Smiles
O=C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@@H](CC1=CC=CC=C1)C(N[C@@H](CC2=CC=CC=C2)C(N[C@@H](C(C)C)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CC3=CC=CC=C3)C(N[C@@H](CC4=CC=C(C=C4)O)C(N[C@@H](CC5=CC=CC=C5)C(N[C@@H](CC6=CC=CC=C6)C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CC7=CNC8=CC=CC=C78)N
Molecular Formula
C93H118N16O14
Molecular Weight
1684.03
References & Citations
[1]Flowers LO, et al. Characterization of a peptide inhibitor of Janus kinase 2 that mimics suppressor of cytokine signaling 1 function. J Immunol. 2004 Jun 15;172 (12) :7510-8.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported
Isoform
JAK2

Chemical Information

H-Trp-Leu-Val-Phe-Phe-Val-Ile-Phe-Tyr-Phe-Phe-Arg-OH
CAS Number716361-65-8
PubChem CID172677519
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoic acid
Molecular FormulaC93H118N16O14
Molecular Weight1684.0
XLogP7.5
Topological Polar Surface Area481
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count16
Rotatable Bond Count48
Heavy Atom Count123
Formal Charge0
Complexity3360
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)N
InChI
InChI=1S/C93H118N16O14/c1-9-58(8)80(91(121)106-76(50-62-34-21-13-22-35-62)86(116)103-74(52-64-41-43-66(110)44-42-64)84(114)102-73(48-60-30-17-11-18-31-60)83(113)101-72(47-59-28-15-10-16-29-59)82(112)99-70(92(122)123)40-27-45-97-93(95)96)109-90(120)79(57(6)7)108-88(118)77(51-63-36-23-14-24-37-63)104-85(115)75(49-61-32-19-12-20-33-61)105-89(119)78(56(4)5)107-87(117)71(46-55(2)3)100-81(111)68(94)53-65-54-98-69-39-26-25-38-67(65)69/h10-26,28-39,41-44,54-58,68,70-80,98,110H,9,27,40,45-53,94H2,1-8H3,(H,99,112)(H,100,111)(H,101,113)(H,102,114)(H,103,116)(H,104,115)(H,105,119)(H,106,121)(H,107,117)(H,108,118)(H,109,120)(H,122,123)(H4,95,96,97)/t58-,68-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m0/s1
InChIKey
SIBBREVPONSJCZ-MCTONKFGSA-N
Chemical Structure
2D Structure
2D structure of H-Trp-Leu-Val-Phe-Phe-Val-Ile-Phe-Tyr-Phe-Phe-Arg-OH
CAS: 716361-65-8
CID: 172677519
Formula: C93H118N16O14
MW: 1684.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1684.0
XLogP37.5
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count16
Rotatable Bond Count48
Exact Mass1682.90134250
Monoisotopic Mass1682.90134250
Topological Polar Surface Area481 Ų
Heavy Atom Count123
Formal Charge0
Complexity3360
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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