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Acumapimod

CAT: 0127-BUP03689-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03689-03Size:10 mg
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CAS Number
836683-15-9
Synonyms
BCT-197
Purity
=95%
Smiles
Cc1ccc(cc1-n1ncc(C(=O)c2cccc(c2)C#N)c1N)C(=O)NC1CC1

Chemical Information

Acumapimod

Acumapimod is under investigation in clinical trial NCT02926326 (The Effect of Azithromycin on BCT197 Exposure in Healthy Male Volunteers).

CAS Number836683-15-9
PubChem CID11338127
IUPAC Name3-[5-amino-4-(3-cyanobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
Molecular FormulaC22H19N5O2
Molecular Weight385.4
XLogP3.4
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity684
SMILES
CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC=CC(=C4)C#N)N
InChI
InChI=1S/C22H19N5O2/c1-13-5-6-16(22(29)26-17-7-8-17)10-19(13)27-21(24)18(12-25-27)20(28)15-4-2-3-14(9-15)11-23/h2-6,9-10,12,17H,7-8,24H2,1H3,(H,26,29)
InChIKey
VGUSQKZDZHAAEE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acumapimod
CAS: 836683-15-9
CID: 11338127
Formula: C22H19N5O2
MW: 385.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.4
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass385.15387487
Monoisotopic Mass385.15387487
Topological Polar Surface Area114 Ų
Heavy Atom Count29
Formal Charge0
Complexity684
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

Alternative Products

CatalogName
BA3652-10Acumapimod
A21325-25Acumapimod 25mg
A21325-1Acumapimod 1mg
A21325-100Acumapimod 100mg
A21325-5Acumapimod 5mg
A21325-50Acumapimod 50mg
A21325-10Acumapimod 10mg
319515Acumapimod (BCT-197)
A21325-10mM-DAcumapimod 10mM * 1mL in DMSO

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