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PKC β pseudosubstrate

CAT: 1410-M30587Size: 1 EachDry Ice: NoHazardous: No
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Description
Selective cell-permeable peptide inhibitor of protein kinase C (IC50 ~ 0.5 μM) . Consists of amino acids 19 - 31 of PKC pseudosubstrate domain linked by a disulphide bridge to a cell permeabilisation Antennapedia domain vector peptide. The Antennapedia peptide is actively taken up by intact cells, at 4 or 37°C, ensuring rapid and effective uptake of the inhibitor peptide. Once inside the cell, the disulphide bonds are subjected to reduction in the cytoplasm leading to release of the inhibitor peptide.
CAS Number
172308-76-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
3994.84
Molecular Formula
C177H294N62O38S3
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

PKC beta pseudosubstrate
CAS Number172308-76-8
PubChem CID90488712
IUPAC Name(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-amino-3-[[(2R)-2-amino-3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-oxopropyl]disulfanyl]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoic acid
Molecular FormulaC177H294N62O38S3
Molecular Weight3995
XLogP-14.7
Topological Polar Surface Area1820
Hydrogen Bond Donor Count64
Hydrogen Bond Acceptor Count55
Rotatable Bond Count150
Heavy Atom Count280
Formal Charge0
Complexity9160
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)O)N)N
InChI
InChI=1S/C177H294N62O38S3/c1-12-96(7)140(168(272)228-114(54-28-34-73-182)159(263)238-141(97(8)13-2)169(273)236-130(86-103-90-210-109-49-23-21-47-105(103)109)165(269)232-128(84-101-44-18-15-19-45-101)163(267)226-122(63-66-134(187)241)157(261)234-131(87-136(189)243)166(270)223-119(60-40-79-207-176(199)200)149(253)220-118(59-39-78-206-175(197)198)151(255)227-124(68-81-278-11)158(262)219-112(52-26-32-71-180)153(257)233-129(85-102-89-209-108-48-22-20-46-104(102)108)164(268)221-111(51-25-31-70-179)152(256)229-125(170(274)275)55-29-35-74-183)239-160(264)123(64-67-135(188)242)225-148(252)116(57-37-76-204-173(193)194)215-144(248)106(184)92-279-280-93-107(185)145(249)216-117(58-38-77-205-174(195)196)155(259)231-127(83-100-42-16-14-17-43-100)161(265)213-99(10)143(247)214-115(56-36-75-203-172(191)192)147(251)217-110(50-24-30-69-178)146(250)211-91-138(245)212-98(9)142(246)230-126(82-94(3)4)162(266)222-120(61-41-80-208-177(201)202)150(254)224-121(62-65-133(186)240)156(260)218-113(53-27-33-72-181)154(258)235-132(88-137(190)244)167(271)237-139(95(5)6)171(276)277/h14-23,42-49,89-90,94-99,106-107,110-132,139-141,209-210H,12-13,24-41,50-88,91-93,178-185H2,1-11H3,(H2,186,240)(H2,187,241)(H2,188,242)(H2,189,243)(H2,190,244)(H,211,250)(H,212,245)(H,213,265)(H,214,247)(H,215,248)(H,216,249)(H,217,251)(H,218,260)(H,219,262)(H,220,253)(H,221,268)(H,222,266)(H,223,270)(H,224,254)(H,225,252)(H,226,267)(H,227,255)(H,228,272)(H,229,256)(H,230,246)(H,231,259)(H,232,269)(H,233,257)(H,234,261)(H,235,258)(H,236,273)(H,237,271)(H,238,263)(H,239,264)(H,274,275)(H,276,277)(H4,191,192,203)(H4,193,194,204)(H4,195,196,205)(H4,197,198,206)(H4,199,200,207)(H4,201,202,208)/t96-,97-,98-,99-,106-,107-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,139-,140-,141-/m0/s1
InChIKey
KIWJPYSSLFMLBZ-OSCDWKIESA-N
Chemical Structure
2D Structure
2D structure of PKC beta pseudosubstrate
CAS: 172308-76-8
CID: 90488712
Formula: C177H294N62O38S3
MW: 3995
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3995
XLogP3-14.7
Hydrogen Bond Donor Count64
Hydrogen Bond Acceptor Count55
Rotatable Bond Count150
Exact Mass3993.2174715
Monoisotopic Mass3992.2141167
Topological Polar Surface Area1820 Ų
Heavy Atom Count280
Formal Charge0
Complexity9160
Isotope Atom Count0
Defined Atom Stereocenter Count32
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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