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AG2034

CAT: 0931-T26572-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26572-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
177575-17-6
Target
Others, Antifolate
Related Pathways
Others, Cell Cycle/Checkpoint
Bioactivity
AG2034 is an inhibitor of the glycinamide ribonucleotide formyltransferase (GARFT) .
Smiles
O=C1C2=C(NC[C@H](CCC=3SC(C(N[C@@H](CCC(O)=O)C(O)=O)=O)=CC3)S2)NC(N)=N1
Molecular Formula
C18H21N5O6S2
Molecular Weight
467.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-((5-(2-((6S)-2-Amino-4,6,7,8-tetrahydro-4-oxo-3H-pyrimido(5,4-b)(1,4)thiazin-6-yl)ethyl)-2-thienyl)carbonyl)-L-glutamic acid

AG 2034 is a glutamic acid derivative.

CAS Number177575-17-6
PubChem CID135465775
IUPAC Name(2S)-2-[[5-[2-[(6S)-2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]thiophene-2-carbonyl]amino]pentanedioic acid
Molecular FormulaC18H21N5O6S2
Molecular Weight467.5
XLogP0.6
Topological Polar Surface Area237
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity832
SMILES
C1[C@@H](SC2=C(N1)N=C(NC2=O)N)CCC3=CC=C(S3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C18H21N5O6S2/c19-18-22-14-13(16(27)23-18)31-9(7-20-14)2-1-8-3-5-11(30-8)15(26)21-10(17(28)29)4-6-12(24)25/h3,5,9-10H,1-2,4,6-7H2,(H,21,26)(H,24,25)(H,28,29)(H4,19,20,22,23,27)/t9-,10-/m0/s1
InChIKey
HHKAOUMVRGSKLS-UWVGGRQHSA-N
Chemical Structure
2D Structure
2D structure of N-((5-(2-((6S)-2-Amino-4,6,7,8-tetrahydro-4-oxo-3H-pyrimido(5,4-b)(1,4)thiazin-6-yl)ethyl)-2-thienyl)carbonyl)-L-glutamic acid
CAS: 177575-17-6
CID: 135465775
Formula: C18H21N5O6S2
MW: 467.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.5
XLogP30.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass467.09332575
Monoisotopic Mass467.09332575
Topological Polar Surface Area237 Ų
Heavy Atom Count31
Formal Charge0
Complexity832
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-10819AG2034

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