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Alofanib

CAT: 0013-GTR19168621-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168621-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Alofanib
CAS Number
1612888-66-0
Product Name Alternative
RPT 835, RPT835, RPT-835, Alofanib, Apoptosis, Fibroblast growth factor receptor, FGFR, FGFR2, Inhibitor, inhibit
Field of Research
Cardiovascular Research, Cell Biology, Signal Transduction
Purity
98.82% (May vary between batches)
Solubility
DMSO:55 mg/mL (133.04 mM) ; H2O:Insoluble;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.84 mM)
Smiles
Cc1cc (c (NS (=O) (=O) c2cccc (c2) C (O) =O) cc1-c1cccnc1) [N+] ([O-]) =O
Molecular Formula
C19H15N3O6S
Molecular Weight
413.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Alofanib

Alofanib is a small molecule drug. The usage of the INN stem '-anib' in the name indicates that Alofanib is a angiogenesis inhibitor. Alofanib is under investigation in clinical trial NCT04071184 (Study of Alofanib in Patients With Metastatic Gastric Cancer). Alofanib has a monoisotopic molecular weight of 413.07 Da.

CAS Number1612888-66-0
PubChem CID86280646
IUPAC Name3-[(4-methyl-2-nitro-5-pyridin-3-ylphenyl)sulfamoyl]benzoic acid
Molecular FormulaC19H15N3O6S
Molecular Weight413.4
XLogP3.3
Topological Polar Surface Area151
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity704
SMILES
CC1=CC(=C(C=C1C2=CN=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C19H15N3O6S/c1-12-8-18(22(25)26)17(10-16(12)14-5-3-7-20-11-14)21-29(27,28)15-6-2-4-13(9-15)19(23)24/h2-11,21H,1H3,(H,23,24)
InChIKey
QUQGQIASFYWKAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alofanib
CAS: 1612888-66-0
CID: 86280646
Formula: C19H15N3O6S
MW: 413.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.4
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass413.06815638
Monoisotopic Mass413.06815638
Topological Polar Surface Area151 Ų
Heavy Atom Count29
Formal Charge0
Complexity704
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
BA2864-100Alofanib
MBS386079-01Alofanib (RPT835)

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