Alsterpaullone 10mg

CAT: 0628-A20318-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A20318-10Size:10 mg

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CAS Number

237430-03-4

Chemical Information

Alsterpaullone

Alsterpaullone is an organic heterotetracyclic compound that is 1,3-dihydro-2H-1-benzazepin-2-one which shares its 4-5 bond with the 3-2 bond of 5-nitro-1H-indole. It has a role as an antineoplastic agent, an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor, an anti-HIV-1 agent, an apoptosis inducer, an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor and an EC 2.7.11.26 (tau-protein kinase) inhibitor. It is a member of caprolactams, a C-nitro compound and an organic heterotetracyclic compound. It is functionally related to a paullone.

CAS Number	237430-03-4
PubChem CID	5005498
IUPAC Name	9-nitro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
Molecular Formula	C16H11N3O3
Molecular Weight	293.28
XLogP	2.4
Topological Polar Surface Area	90.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	22
Formal Charge	0
Complexity	478

SMILES

C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)

InChIKey

OLUKILHGKRVDCT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 237430-03-4

CID: 5005498

Formula: C16H11N3O3

MW: 293.28

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	293.28
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	293.08004122
Monoisotopic Mass	293.08004122
Topological Polar Surface Area	90.7 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	478
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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044496-01	Alsterpaullone

Alsterpaullone 10mg

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