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K-252A

CAT: 0926-INK-3026-PI-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-INK-3026-PI-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
99533-80-9
Smiles
CC12C (CC (O1) N3C4=CC=CC=C4C5=C6C (=C7C8=CC=CC=C8N2C7=C53) CNC6=O) (C (=O) OC) O
Molecular Formula
C27H21N3O5
Molecular Weight
467.49 g/mol
Controlled
No

Chemical Information

K252a

K-252a is a organic heterooctacyclic compound that is a potent inhibitor of protein kinase C and is isolated from Nocardiopsis sp K-252a. It has a role as an antimicrobial agent, an EC 2.7.11.13 (protein kinase C) inhibitor, a bacterial metabolite and a tropomyosin-related kinase B receptor antagonist. It is a methyl ester, a bridged compound, an organic heterooctacyclic compound and a gamma-lactam.

CAS Number99533-80-9
PubChem CID3035817
IUPAC Namemethyl (15S,16R,18R)-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 FormulaC27H21N3O5
Molecular Weight467.5
XLogP2.8
Topological Polar Surface Area94.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count35
Formal Charge0
Complexity976
SMILES
C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)OC)O
InChI
InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27+/m1/s1
InChIKey
KOZFSFOOLUUIGY-SOLYNIJKSA-N
Chemical Structure
2D Structure
2D structure of K252a
CAS: 99533-80-9
CID: 3035817
Formula: C27H21N3O5
MW: 467.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.5
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass467.14812078
Monoisotopic Mass467.14812078
Topological Polar Surface Area94.7 Ų
Heavy Atom Count35
Formal Charge0
Complexity976
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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