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PKHB1

CAT: 0931-TP2999-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2999-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1505523-99-8
Target
Reactive Oxygen Species, Thrombopoietin Receptor
Related Pathways
Metabolism, Immunology/Inflammation, NF-κB
Bioactivity
PKHB1 is a thrombospondin-1 peptide mimetic known for its antitumor properties. It induces mitochondrial alterations, ROS generation, intracellular Ca+ accumulation, and calcium-dependent cell death in breast cancer cells. Additionally, PKHB1 promotes immune system activation through immunogenic cell death in breast cancer cells.
Smiles
C([C@@H](C(N[C@H](C(N[C@H](CCCCN)C(O)=O)=O)CCCCN)=O)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC1=CC=C(O)C=C1)NC([C@H](CC2=CC=CC=C2)NC([C@@H](NC([C@@H](CCCCN)N)=O)CCCNC(=N)N)=O)=O)=O)C(C)C)=O)[C@H](C)C)=O)CCSC)=O)C=3C=4C(NC3)=CC=CC4
Molecular Formula
C68H105N17O12S
Molecular Weight
1384.73
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-D-Lys-Arg-Phe-Tyr-Val-Val-Met-Trp-Lys-D-Lys-OH
CAS Number1505523-99-8
PubChem CID118056349
IUPAC Name(2R)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoic acid
Molecular FormulaC68H105N17O12S
Molecular Weight1384.7
XLogP-0.1
Topological Polar Surface Area529
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count18
Rotatable Bond Count46
Heavy Atom Count98
Formal Charge0
Complexity2520
SMILES
CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCCN)N
InChI
InChI=1S/C68H105N17O12S/c1-40(2)56(65(94)79-51(30-35-98-5)61(90)83-55(38-44-39-76-48-22-10-9-20-46(44)48)63(92)78-49(23-12-15-32-70)59(88)80-52(67(96)97)24-13-16-33-71)85-66(95)57(41(3)4)84-64(93)54(37-43-26-28-45(86)29-27-43)82-62(91)53(36-42-18-7-6-8-19-42)81-60(89)50(25-17-34-75-68(73)74)77-58(87)47(72)21-11-14-31-69/h6-10,18-20,22,26-29,39-41,47,49-57,76,86H,11-17,21,23-25,30-38,69-72H2,1-5H3,(H,77,87)(H,78,92)(H,79,94)(H,80,88)(H,81,89)(H,82,91)(H,83,90)(H,84,93)(H,85,95)(H,96,97)(H4,73,74,75)/t47-,49+,50+,51+,52-,53+,54+,55+,56+,57+/m1/s1
InChIKey
XEMLJJZYMPZGBS-UEUNBRMZSA-N
Chemical Structure
2D Structure
2D structure of H-D-Lys-Arg-Phe-Tyr-Val-Val-Met-Trp-Lys-D-Lys-OH
CAS: 1505523-99-8
CID: 118056349
Formula: C68H105N17O12S
MW: 1384.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1384.7
XLogP3-0.1
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count18
Rotatable Bond Count46
Exact Mass1383.78493303
Monoisotopic Mass1383.78493303
Topological Polar Surface Area529 Ų
Heavy Atom Count98
Formal Charge0
Complexity2520
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TMAC-03349-01Anti-PKHD1 Antibody (4M854)

Alternative Products

CatalogName
GTR19069598-01PKHB1
HY-P11205Cys-PKHB1
GTR19150236-01Cys-PKHB1 TFA
HY-P11205A-01Cys-PKHB1 (TFA)
ARP65807_P050PKHB1 Antibody - N-terminal region (ARP65807_P050)
488750PKHB1 (Pleckstrin Homology Domain-Containing Family B Member 1, Pleckstrin Homology Domain Containing, Family B (Evectins) Member 1)

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