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Malantide

CAT: 0931-TP1789-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TP1789-01Size:1 mg
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CAS Number
86555-35-3
Target
PKA, PKC
Related Pathways
Tyrosine Kinase/Adaptors, Cytoskeletal Signaling, Chromatin/Epigenetic
Bioactivity
Malantide is a dodecapeptide phosphorylated by cyclic AMP-dependent protein kinase (PKA), and increases PKA activity.Malantide is a synthetic peptide that is phosphorylated by PKA and is used to measure PKA activity in vitro.
Smiles
C([C@@H](NC([C@H](CC1=CC=C(O)C=C1)NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CCCNC(=N)N)N)=O)[C@@H](C)O)=O)CCCCN)=O)CCCNC(=N)N)=O)CO)=O)=O)CO)=O)C(C)C)=O)=O)CCC(O)=O)(=O)N2[C@H](C(N[C@H](C(N[C@H](C(N[C@@H]([C@H](CC)C)C(O)=O)=O)CCCCN)=O)CC(C)C)=O)CCC2
Molecular Formula
C72H124N22O21
Molecular Weight
1633.89
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Malantide

tetradecapeptide derived from the phosphorylation site of the beta subunit of phosphorylase kinase; used to measure the cyclic AMP-dependent protein kinase activity in various tissues; amino acid sequence given in first source

CAS Number86555-35-3
PubChem CID135765
IUPAC Name(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid
Molecular FormulaC72H124N22O21
Molecular Weight1633.9
XLogP-9.9
Topological Polar Surface Area732
Hydrogen Bond Donor Count25
Hydrogen Bond Acceptor Count26
Rotatable Bond Count55
Heavy Atom Count115
Formal Charge0
Complexity3250
SMILES
CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C72H124N22O21/c1-8-39(6)56(70(114)115)92-62(106)45(18-10-12-28-74)85-63(107)48(32-37(2)3)88-66(110)52-20-15-31-94(52)69(113)47(25-26-54(100)101)87-64(108)49(33-41-21-23-42(98)24-22-41)89-67(111)55(38(4)5)91-65(109)51(36-96)83-53(99)34-82-59(103)50(35-95)90-61(105)46(19-14-30-81-72(78)79)84-60(104)44(17-9-11-27-73)86-68(112)57(40(7)97)93-58(102)43(75)16-13-29-80-71(76)77/h21-24,37-40,43-52,55-57,95-98H,8-20,25-36,73-75H2,1-7H3,(H,82,103)(H,83,99)(H,84,104)(H,85,107)(H,86,112)(H,87,108)(H,88,110)(H,89,111)(H,90,105)(H,91,109)(H,92,106)(H,93,102)(H,100,101)(H,114,115)(H4,76,77,80)(H4,78,79,81)/t39-,40+,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,55-,56-,57-/m0/s1
InChIKey
COABRICCWCYCPI-ZYLNUDMXSA-N
Chemical Structure
2D Structure
2D structure of Malantide
CAS: 86555-35-3
CID: 135765
Formula: C72H124N22O21
MW: 1633.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1633.9
XLogP3-9.9
Hydrogen Bond Donor Count25
Hydrogen Bond Acceptor Count26
Rotatable Bond Count55
Exact Mass1632.93113905
Monoisotopic Mass1632.93113905
Topological Polar Surface Area732 Ų
Heavy Atom Count115
Formal Charge0
Complexity3250
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C06893-5mgMalantide
A23132-1Malantide 1mg
350256Malantide Peptide
HY-P1597AMalantide (TFA)
A23132-10Malantide 10mg
MBS5817891Malantide TFA

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