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KT 5720 0.1mg

CAT: 0628-A16016-0.1Size: 0.1 mgDry Ice: NoHazardous: No
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CAT#:0628-A16016-0.1Size:0.1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
108068-98-0

Chemical Information

KT 5720

KT 5720 is an organic heterooctacyclic compound that is 1H,1'H-2,2'-biindole in which the nitrogens have undergone formal oxidative coupling to positions 2 and 5 of hexyl (3S)-3-hydroxy-2-methyltetrahydrofuran-3-carboxylate (the 2R,3S,5S product), and in which the 3 and 3' positions of the biindole moiety have also undergone formal oxidative coupling to positions 3 and 4 of 1,5-dihydro-2H-pyrrol-2-one. It has a role as an EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor. It is a tertiary alcohol, a carboxylic ester, an organic heterooctacyclic compound, an indolocarbazole, a semisynthetic derivative, a hemiaminal and a gamma-lactam. It is functionally related to a K-252a.

CAS Number108068-98-0
PubChem CID454202
IUPAC Namehexyl (15R,16S,18S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate
Molecular FormulaC32H31N3O5
Molecular Weight537.6
XLogP5.1
Topological Polar Surface Area94.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity1060
SMILES
CCCCCCOC(=O)[C@@]1(C[C@H]2N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N(C7=C53)[C@@]1(O2)C)CNC6=O)O
InChI
InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1
InChIKey
ZHEHVZXPFVXKEY-RUAOOFDTSA-N
Chemical Structure
2D Structure
2D structure of KT 5720
CAS: 108068-98-0
CID: 454202
Formula: C32H31N3O5
MW: 537.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight537.6
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass537.22637110
Monoisotopic Mass537.22637110
Topological Polar Surface Area94.7 Ų
Heavy Atom Count40
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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