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KT5926

CAT: 0931-T24272-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T24272-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
126643-38-7
Target
Others
Related Pathways
Others
Bioactivity
KT5926 is an effective and selective inhibitor of myosin light chain kinase. KT5926 is an analogue of K-252a, which blocks all responses to NGF. KT5926 selectively inhibits nerve growth factor-dependent neurite elongation.
Smiles
C[C@]12N3C=4C5=C(C=6C(N5[C@](O1)(C[C@@]2(C(OC)=O)O)[H])=CC=C(OCCC)C6)C7=C(C4C=8C3=CC=CC8)CNC7=O
Molecular Formula
C30H27N3O6
Molecular Weight
525.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyl (9S,10R,12R)-2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-16-propoxy-9,12-epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylate

KT 5926 is an organic heterooctacyclic compound that is 5-propoxy-1H,1'H-2,2'-biindole in which the nitrogens have undergone formal oxidative coupling to positions 2 and 5 of methyl (3R)-3-hydroxy-2-methyltetrahydrofuran-3-carboxylate (the 2S,3R,5R 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 2.7.11.18 (myosin-light-chain kinase) inhibitor. It is a methyl ester, a tertiary alcohol, an organic heterooctacyclic compound, an indolocarbazole, a hemiaminal and a gamma-lactam.

CAS Number126643-38-7
PubChem CID14392217
IUPAC Namemethyl (15S,16R,18R)-16-hydroxy-15-methyl-3-oxo-23-propoxy-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(25),21,23,26-nonaene-16-carboxylate
Molecular FormulaC30H27N3O6
Molecular Weight525.6
XLogP3.6
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count39
Formal Charge0
Complexity1060
SMILES
CCCOC1=CC2=C(C=C1)N3[C@H]4C[C@@]([C@](O4)(N5C6=CC=CC=C6C7=C8CNC(=O)C8=C2C3=C75)C)(C(=O)OC)O
InChI
InChI=1S/C30H27N3O6/c1-4-11-38-15-9-10-19-17(12-15)23-24-18(14-31-27(24)34)22-16-7-5-6-8-20(16)33-26(22)25(23)32(19)21-13-30(36,28(35)37-3)29(33,2)39-21/h5-10,12,21,36H,4,11,13-14H2,1-3H3,(H,31,34)/t21-,29+,30+/m1/s1
InChIKey
ZZWAFVPZTZSAEM-RIGQTMPJSA-N
Chemical Structure
2D Structure
2D structure of Methyl (9S,10R,12R)-2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-16-propoxy-9,12-epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylate
CAS: 126643-38-7
CID: 14392217
Formula: C30H27N3O6
MW: 525.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.6
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass525.18998559
Monoisotopic Mass525.18998559
Topological Polar Surface Area104 Ų
Heavy Atom Count39
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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