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SSR128129E

CAT: 0607-B1525-20Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0607-B1525-20Size:20 mg
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Description
allosteric inhibitor of FGFR1, orally-active
CAS Number
848318-25-2
Product Name Alternative
sodium;2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate
Purity
0.9996
Form
A solid
Solubility
insoluble in EtOH; insoluble in H2O; ≥17.3 mg/mL in DMSO
Smiles
CC1=C(N2C=CC=CC2=C1OC)C(=O)C3=CC(=C(C=C3)N)C(=O)[O-].[Na+]
Molecular Formula
C18H15N2O4·Na
Molecular Weight
346.31
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Ssr128129E

Sodium 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoate is an organic sodium salt having 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoate as the counterion. It has a role as an antineoplastic agent and a fibroblast growth factor receptor antagonist. It contains a 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoate.

CAS Number848318-25-2
PubChem CID68853159
IUPAC Namesodium 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate
Molecular FormulaC18H15N2NaO4
Molecular Weight346.3
Topological Polar Surface Area96.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity503
SMILES
CC1=C(N2C=CC=CC2=C1OC)C(=O)C3=CC(=C(C=C3)N)C(=O)[O-].[Na+]
InChI
InChI=1S/C18H16N2O4.Na/c1-10-15(20-8-4-3-5-14(20)17(10)24-2)16(21)11-6-7-13(19)12(9-11)18(22)23;/h3-9H,19H2,1-2H3,(H,22,23);/q;+1/p-1
InChIKey
JFBMSTWZURKQOC-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Ssr128129E
CAS: 848318-25-2
CID: 68853159
Formula: C18H15N2NaO4
MW: 346.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight346.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass346.09295125
Monoisotopic Mass346.09295125
Topological Polar Surface Area96.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity503
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes