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KT5720

CAT: 0926-BK162735-02Size: 0.25 mgDry Ice: NoHazardous: No
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CAT#:0926-BK162735-02Size:0.25 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
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
Molecular Formula
C32H31N3O5
Molecular Weight
537.61 g/mol
Shipping Conditions
Cool Pack
Controlled
No

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
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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

Alternative Products

CatalogName
MBS808157-01KT5720

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