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PS-1145

CAT: 1410-M14463-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M14463-07Size:100 mg
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Description
A specific IκB kinase (IKK) inhibitor with IC50 of 88 nM.
CAS Number
431898-65-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
322.7484
Molecular Formula
C17H11ClN4O
Notes
Research use only, not for human use.
Receptor
IKK

Chemical Information

N-(6-chloro-9h-pyrido[3,4-b]indol-8-yl)-3-pyridinecarboxamide

PS-1145 is a member of the class of beta-carbolines that is 9H-beta-carboline substituted by chloro and (pyridin-3-ylcarbonyl)amino groups at positions 6 and 8, respectively. It is a IB kinase beta (IKKbeta) inhibitor (IC50 = 88 nM). It has a role as an antineoplastic agent, an apoptosis inducer and an EC 2.7.11.10 (IkappaB kinase) inhibitor. It is a secondary carboxamide, a pyridinecarboxamide, an organochlorine compound and a member of beta-carbolines.

CAS Number431898-65-6
PubChem CID9949093
IUPAC NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-3-carboxamide
Molecular FormulaC17H11ClN4O
Molecular Weight322.7
XLogP2.7
Topological Polar Surface Area70.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity448
SMILES
C1=CC(=CN=C1)C(=O)NC2=CC(=CC3=C2NC4=C3C=CN=C4)Cl
InChI
InChI=1S/C17H11ClN4O/c18-11-6-13-12-3-5-20-9-15(12)21-16(13)14(7-11)22-17(23)10-2-1-4-19-8-10/h1-9,21H,(H,22,23)
InChIKey
JZRMBDHPALEPDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(6-chloro-9h-pyrido[3,4-b]indol-8-yl)-3-pyridinecarboxamide
CAS: 431898-65-6
CID: 9949093
Formula: C17H11ClN4O
MW: 322.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.7
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass322.0621387
Monoisotopic Mass322.0621387
Topological Polar Surface Area70.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity448
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-18008-01PS-1145
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