ArgTX-93 TFA

CAT: 0931-T71359-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T71359-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1161025-20-2

Target

Others

Related Pathways

Others

Bioactivity

ArgTX-93 is a highly potent and subfamily selective antagonist of the NMDARs and AMPARs.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

ArgTX-93 TFA

CAS Number	1161025-20-2
PubChem CID	154701580
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 Formula	C36H56F9N9O12
Molecular Weight	977.9
Topological Polar Surface Area	385
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	24
Rotatable Bond Count	25
Heavy Atom Count	66
Formal Charge	0
Complexity	987

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

CAS: 1161025-20-2

CID: 154701580

Formula: C36H56F9N9O12

MW: 977.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	977.9
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	24
Rotatable Bond Count	25
Exact Mass	977.39047171
Monoisotopic Mass	977.39047171
Topological Polar Surface Area	385 Å²
Heavy Atom Count	66
Formal Charge	0
Complexity	987
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	4
Compound Is Canonicalized	Yes

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Catalog	Name
GTR19209322-01	ArgTX-93 TFA
MBS5813257	ArgTX-48 TFA
BA7887-50	93-O17S
A5449-5	PIK-93
FC43325-01	PIK 93
HY-161031	EGFR-IN-93
HY-162219	HSD17B13-IN-93
HY-W598178-01	93-O17O
2524-1000	KN-93
ARI0097	OLN-93

ArgTX-93 TFA

Chemical Information

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