Products for Research Use Only

Malantide

CAT: 1568-C06893-5mgSize: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1568-C06893-5mgSize:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
86555-35-3
Target
PKA
Applications
Stem Cells & Wnt
Smiles
CCC (C) C (NC (=O) C (CCCCN) NC (=O) C (CC (C) C) NC (=O) C1CCCN1C (=O) C (CCC (O) =O) NC (=O) C (CC2=CC=C (O) C=C2) NC (=O) C (NC (=O) C (CO) NC (=O) CNC (=O) C (CO) NC (=O) C (CCCNC (N) =N) NC (=O) C (CCCCN) NC (=O) C (NC (=O) C (N) CCCNC (N) =N) C (C) O) C (C) C) C (O) =O
Molecular Formula
C72H124N22O21
Additionnal Information
Malantide is a synthetic dodecapeptide derived from the site phosphorylated by cAMP-dependent protein kinase (PKA) on the β-subunit of phosphorylase kinase, which is a highly specific substrate for PKA with a Km of 15 μM.
Storage Conditions
3 years-20°C powder

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...
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