Products for Research Use Only

K 252a

CAT: 0607-B6828-1Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-B6828-1Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
protein kinase inhibitor
CAS Number
99533-80-9
Product Name Alternative
(5R,6S,8S)-methyl 6-hydroxy-5-methyl-13-oxo-6,7,8,13,14,15-hexahydro-5H-16-oxa-4b,8a,14-triaza-5,8-methanodibenzo[b,h]cycloocta[jkl]cyclopenta[e]-as-indacene-6-carboxylate
Field of Research
Tyrosine Kinase Broad Spectrum Protein Kinase Inhibitor
Purity
0.98
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
O[C@](C1)(C(OC)=O)[C@@]2(C)O[C@@H]1N3C4=C5N2C6=CC=CC=C6C5=C(CNC7=O)C7=C4C8=CC=CC=C38
Molecular Formula
C27H21N3O5
Molecular Weight
467.48
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at -20°C.

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...
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