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BPDEtide

CAT: 0931-TP3926-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TP3926-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
142353-01-3
Target
PKA
Related Pathways
Tyrosine Kinase/Adaptors
Bioactivity
BPDEtide is a synthetic peptide with apparent Km values for cGK and cAK of 68 and 320 μM, respectively. It is the most selective peptide substrate used to measure cGK activity.
Smiles
C([C@@H](NC([C@@H](NC([C@H](CC1=CC=CC=C1)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CCCNC(=N)N)N)=O)CCCCN)=O)[C@H](CC)C)=O)CO)=O)C)=O)CO)=O)CCC(O)=O)=O)=O)CC(O)=O)=O)CCCNC(=N)N)(=O)N2[C@H](C(N[C@H](C(N[C@@H](CCCNC(=N)N)C(O)=O)=O)CC(C)C)=O)CCC2
Molecular Formula
C68H115N23O20
Molecular Weight
1574.78
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Arg-Lys-Ile-Ser-Ala-Ser-Glu-Phe-Asp-Arg-Pro-Leu-Arg-OH
CAS Number142353-01-3
PubChem CID71312176
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC68H115N23O20
Molecular Weight1574.8
XLogP-11.1
Topological Polar Surface Area738
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count25
Rotatable Bond Count53
Heavy Atom Count111
Formal Charge0
Complexity3200
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C68H115N23O20/c1-6-36(4)52(90-56(101)40(19-10-11-25-69)81-54(99)39(70)18-12-26-77-66(71)72)63(108)89-47(33-92)60(105)80-37(5)53(98)88-48(34-93)61(106)82-41(23-24-50(94)95)55(100)85-45(31-38-16-8-7-9-17-38)58(103)86-46(32-51(96)97)59(104)83-42(20-13-27-78-67(73)74)64(109)91-29-15-22-49(91)62(107)87-44(30-35(2)3)57(102)84-43(65(110)111)21-14-28-79-68(75)76/h7-9,16-17,35-37,39-49,52,92-93H,6,10-15,18-34,69-70H2,1-5H3,(H,80,105)(H,81,99)(H,82,106)(H,83,104)(H,84,102)(H,85,100)(H,86,103)(H,87,107)(H,88,98)(H,89,108)(H,90,101)(H,94,95)(H,96,97)(H,110,111)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t36-,37-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1
InChIKey
NPUSRFWRIUYFIF-KTFPRAGKSA-N
Chemical Structure
2D Structure
2D structure of H-Arg-Lys-Ile-Ser-Ala-Ser-Glu-Phe-Asp-Arg-Pro-Leu-Arg-OH
CAS: 142353-01-3
CID: 71312176
Formula: C68H115N23O20
MW: 1574.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1574.8
XLogP3-11.1
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count25
Rotatable Bond Count53
Exact Mass1573.86887315
Monoisotopic Mass1573.86887315
Topological Polar Surface Area738 Ų
Heavy Atom Count111
Formal Charge0
Complexity3200
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BML-P112-0001BPDEtide
M41985BPDEtide [RKISASEFDRPLR]
GTR18889819BPDEtide [RKISASEFDRPLR] peptide
B2630BPDEtide (Protein Kinase G Substrate)
SP-86884-5BPDEtide [RKISASEFDRPLR] (AA: Arg-Lys-Ile-Ser-Ala-Ser-Glu-Phe-Asp-Arg-Pro-Leu-Arg) (MW: 1574.82)

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