Oxaline

CAT: 0931-T85040-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T85040-01Size:10 mg

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CAS Number

55623-37-5

Target

Others, Microtubule Associated

Related Pathways

Cytoskeletal Signaling, Others

Bioactivity

Oxaline, a fungal alkaloid derived from Penicillium oxalicum, impedes tubulin polymerization, leading to cell cycle arrest at the M phase [1] [2].

Smiles

C(C=C)(C)(C)C12C3(N(C(=CC4=CN=CN4)C(=O)N3)C(=O)C(OC)=C1)N(OC)C=5C2=CC=CC5

Molecular Formula

C24H25N5O4

Molecular Weight

447.49

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Oxaline

Oxaline is an indole alkaloid with a heterotetracyclic skeleton isolated from Penicillium oxalicum and has been shown to exhibit cytotoxic activity. It has a role as an antineoplastic agent and a Penicillium metabolite. It is a member of imidazoles, a lactam, an organic heterotetracyclic compound, an indole alkaloid and an enol ether.

CAS Number	55623-37-5
PubChem CID	21598365
IUPAC Name	(1R,9S,14E)-14-(1H-imidazol-5-ylmethylidene)-2,11-dimethoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione
Molecular Formula	C24H25N5O4
Molecular Weight	447.5
XLogP	3.4
Topological Polar Surface Area	99.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	33
Formal Charge	0
Complexity	945

SMILES

CC(C)(C=C)[C@]12C=C(C(=O)N\3[C@@]1(NC(=O)/C3=C\C4=CN=CN4)N(C5=CC=CC=C25)OC)OC

InChI

InChI=1S/C24H25N5O4/c1-6-22(2,3)23-12-19(32-4)21(31)28-18(11-15-13-25-14-26-15)20(30)27-24(23,28)29(33-5)17-10-8-7-9-16(17)23/h6-14H,1H2,2-5H3,(H,25,26)(H,27,30)/b18-11+/t23-,24-/m1/s1

InChIKey

SOHAVULMGIITDH-SSDCDQDPSA-N

Chemical Structure

2D Structure

CAS: 55623-37-5

CID: 21598365

Formula: C24H25N5O4

MW: 447.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	447.5
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	447.19065430
Monoisotopic Mass	447.19065430
Topological Polar Surface Area	99.8 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	945
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
HY-N8287	Oxaline

Oxaline

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