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ArgTX-93 TFA

CAT: 0013-GTR19209322-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209322-03Size:100 mg
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Description
ArgTX-93 is a potent and selective small molecule antagonist targeting both NMDA and AMPA receptor subfamilies. It is utilized in neuroscience research to investigate excitatory neurotransmission in models of neurological disorders, applicable in both in vitro and in vivo experimental systems.
CAS Number
1161025-20-2
Field of Research
Immunology & Inflammation
Smiles
C (C (O) =O) (F) (F) F.C (C (O) =O) (F) (F) F.C (C (O) =O) (F) (F) F.C (C (N[C@H] (C (NCCCCCCCCCNCCCNC ([C@H] (CCCNC (=N) N) N) =O) =O) CC (N) =O) =O) C1=C (O) C=C (O) C=C1
Molecular Formula
C36H56F9N9O12
Molecular Weight
977.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ArgTX-93 TFA
CAS Number1161025-20-2
PubChem CID154701580
IUPAC Name(2S)-N-[9-[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propylamino]nonyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide;tris(2,2,2-trifluoroacetic acid)
Molecular FormulaC36H56F9N9O12
Molecular Weight977.9
Topological Polar Surface Area385
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count24
Rotatable Bond Count25
Heavy Atom Count66
Formal Charge0
Complexity987
SMILES
C1=CC(=C(C=C1O)O)CC(=O)N[C@@H](CC(=O)N)C(=O)NCCCCCCCCCNCCCNC(=O)[C@H](CCCN=C(N)N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C30H53N9O6.3C2HF3O2/c31-23(10-8-16-38-30(33)34)28(44)36-17-9-14-35-13-6-4-2-1-3-5-7-15-37-29(45)24(20-26(32)42)39-27(43)18-21-11-12-22(40)19-25(21)41;3*3-2(4,5)1(6)7/h11-12,19,23-24,35,40-41H,1-10,13-18,20,31H2,(H2,32,42)(H,36,44)(H,37,45)(H,39,43)(H4,33,34,38);3*(H,6,7)/t23-,24-;;;/m0.../s1
InChIKey
BCFCAKJJQFWJAI-HFYJLKHYSA-N
Chemical Structure
2D Structure
2D structure of ArgTX-93 TFA
CAS: 1161025-20-2
CID: 154701580
Formula: C36H56F9N9O12
MW: 977.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight977.9
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count24
Rotatable Bond Count25
Exact Mass977.39047171
Monoisotopic Mass977.39047171
Topological Polar Surface Area385 Ų
Heavy Atom Count66
Formal Charge0
Complexity987
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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