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CBP501

CAT: 0931-T69091-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T69091-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
565434-85-7
Target
Others, CaMK
Related Pathways
Others, Neuroscience
Bioactivity
CBP501 is a peptide with G2 checkpoint-abrogating activity. G2 checkpoint inhibitor CBP501 inhibits multiple serine/threonine kinases, including MAPKAP-K2, C-Tak1, and CHK1, that phosphorylate serine 216 of the dual-specific phosphatase Cdc25C (cell division checkpoint 25 C) ; disruption of Cdc25C activity results in the inhibition of Cdc25C dephosphorylation of the mitotic cyclin-dependent kinase complex Cdc2/cyclin B, preventing entry into the mitotic phase of the cell cycle.
Smiles
C([C@H](C(N[C@@H](C(N[C@H](CC1=C(F)C(F)=C(F)C(F)=C1F)C(N[C@H](CC2CCCCC2)C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](CCCNC(=N)N)C(O)=O)=O)CCCNC(=N)N)=O)CCC(N)=O)=O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)=O)=O)CO)=O)NC([C@H](NC([C@@H](CC3=CC=C(C(=O)C4=CC=CC=C4)C=C3)N)=O)CO)=O)C=5C=6C(NC5)=CC=CC6
Molecular Formula
C86H122F5N29O17
Molecular Weight
1929.06
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cbp-501

Serine/Threonine Kinase Inhibitor CBP501 is a peptide with G2 checkpoint-abrogating activity. G2 checkpoint inhibitor CBP501 inhibits multiple serine/threonine kinases, including MAPKAP-K2, C-Tak1, and CHK1, that phosphorylate serine 216 of the dual-specific phosphatase Cdc25C (cell division checkpoint 25 C); disruption of Cdc25C activity results in the inhibition of Cdc25C dephosphorylation of the mitotic cyclin-dependent kinase complex Cdc2/cyclin B, preventing entry into the mitotic phase of the cell cycle.

CAS Number565434-85-7
PubChem CID16156006
IUPAC Name(2R)-2-[[(2R)-2-[[(2R)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-benzoylphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(2,3,4,5,6-pentafluorophenyl)propanoyl]amino]-3-cyclohexylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoic acid
Molecular FormulaC86H122F5N29O17
Molecular Weight1929.1
XLogP-3.7
Topological Polar Surface Area809
Hydrogen Bond Donor Count32
Hydrogen Bond Acceptor Count28
Rotatable Bond Count63
Heavy Atom Count137
Formal Charge0
Complexity4030
SMILES
C1CCC(CC1)C[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@@H](CC2=C(C(=C(C(=C2F)F)F)F)F)NC(=O)[C@@H](CO)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@@H](CO)NC(=O)[C@@H](CC5=CC=C(C=C5)C(=O)C6=CC=CC=C6)N
InChI
InChI=1S/C86H122F5N29O17/c87-64-49(65(88)67(90)68(91)66(64)89)39-60(118-80(135)62(42-122)120-77(132)59(38-47-40-109-51-19-8-7-18-48(47)51)117-79(134)61(41-121)119-70(125)50(92)36-44-25-27-46(28-26-44)69(124)45-16-5-2-6-17-45)78(133)116-58(37-43-14-3-1-4-15-43)76(131)113-54(22-11-33-106-84(98)99)72(127)110-52(20-9-31-104-82(94)95)71(126)111-53(21-10-32-105-83(96)97)73(128)114-56(29-30-63(93)123)75(130)112-55(23-12-34-107-85(100)101)74(129)115-57(81(136)137)24-13-35-108-86(102)103/h2,5-8,16-19,25-28,40,43,50,52-62,109,121-122H,1,3-4,9-15,20-24,29-39,41-42,92H2,(H2,93,123)(H,110,127)(H,111,126)(H,112,130)(H,113,131)(H,114,128)(H,115,129)(H,116,133)(H,117,134)(H,118,135)(H,119,125)(H,120,132)(H,136,137)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H4,102,103,108)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m1/s1
InChIKey
DEZJGRPRBZSAKI-KMGSDFBDSA-N
Chemical Structure
2D Structure
2D structure of Cbp-501
CAS: 565434-85-7
CID: 16156006
Formula: C86H122F5N29O17
MW: 1929.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1929.1
XLogP3-3.7
Hydrogen Bond Donor Count32
Hydrogen Bond Acceptor Count28
Rotatable Bond Count63
Exact Mass1927.9493644
Monoisotopic Mass1927.9493644
Topological Polar Surface Area809 Ų
Heavy Atom Count137
Formal Charge0
Complexity4030
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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