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Ageladine A, TFA

CAT: 0024-sc-396549Size: 200 µgDry Ice: NoHazardous: No
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CAT#:0024-sc-396549Size:200 µg
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CAS Number
643020-13-7

Chemical Information

Ageladine A

Ageladine A is an imidazopyridine that is 1H-imidazo[4,5-c]pyridin-2-amine substituted by a 4,5-dibromo-1H-pyrrol-2-yl group at position 4. It is an alkaloid isolated from a marine sponge Agelas nakamurai and acts as an inhibitor of the matrix metalloproteinases, the key enzymes involved in tumour growth, migration, angiogenesis, invasion and metastasis. It has a role as a metabolite, an antineoplastic agent, an angiogenesis inhibitor and a matrix metalloproteinase inhibitor. It is an alkaloid, a member of pyrroles, an aromatic amine, an organobromine compound and an imidazopyridine.

CAS Number643020-13-7
PubChem CID10089677
IUPAC Name4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine
Molecular FormulaC10H7Br2N5
Molecular Weight357.00
XLogP2.3
Topological Polar Surface Area83.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity292
SMILES
C1=CN=C(C2=C1NC(=N2)N)C3=CC(=C(N3)Br)Br
InChI
InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
InChIKey
QAKGJAQGTQLMFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ageladine A
CAS: 643020-13-7
CID: 10089677
Formula: C10H7Br2N5
MW: 357.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.00
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass356.90477
Monoisotopic Mass354.90682
Topological Polar Surface Area83.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity292
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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Alternative Products

CatalogName
441057-01Ageladine A TFA
TN8932-01Ageladine A dihydrochloride
HY-113621BAgeladine A (dihydrochloride)
TRC-A430030-25MGAgeladine A Trifluoroacetic Acid Salt

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