Calcineurin substrate
Basic information
- CAS
113873-67-9- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)C(C)C- InChIKey
CNNRZOUCQVLOST-RBHZDPOXSA-N- Molecular formula
- C92H150N28O29
- Average molar mass
- 2,112.3 g/mol
- Monoisotopic mass
- 2,111.1123509
Names & identifiers
- Preferred name
- Calcineurin substrate
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]pentanedioic acid
- English name
- Asp-Leu-Asp-Val-Pro-Ile-Pro-Gly-Arg-Phe-Asp-Arg-Arg-Val-Ser-Val-Ala-Ala-Glu
- Molecular formula
- C92H150N28O29
- Molecular weight
- 2112.35
Names & synonyms
Calcineurin substrate113873-67-9L-Glutamic acid, L-alpha-aspartyl-L-leucyl-L-alpha-aspartyl-L-valyl-L-prolyl-L-isoleucyl-L-prolylglycyl-L-arginyl-L-phenylalanyl-L-alpha-aspartyl-L-arginyl-L-arginyl-L-valyl-L-seryl-L-valyl-L-alanyl-L-alanyl-CALCINEURIN SUBSTRATE TRIFLUOROACETATE SALTorb1679622DTXSID20583284EX-A12123TP1485AS-79963DA-51536FC108597PD150550
Show more names
PKA RII peptideDLDVPIPGRFDRRVSVAAE[ALA-97]-RII (81-99)2: PN: WO2004056970 TABLECalcineurin (PP2B) SubstrateCalcineurin phosphatase substrateCalcineurin Substrate, ≥97% (HPLC)CalcineurinSubstrate,CalcineurinSubstrat
Properties
Computed structural properties
- XLogP
- -6.9
- Topological polar surface area
- 925 Ų
- Hydrogen bond donors
- 32
- Hydrogen bond acceptors
- 33
- Rotatable bonds
- 69
- Heavy atoms
- 149
- Formal charge
- 0
- Complexity
- 4,690
Physicochemical properties
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- Soluble in DMSO
- form
- White powder.
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesPKA RII peptide is a PKA substrate that, after being phosphorylated at the serine residue, can be used for the detection of calcineurin activity[1].
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Compound notes
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