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Arfolitixorin

CAT: 0013-GTR19198225-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198225-01Size:25 mg
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Description
Arfolitixorin is a small molecule antifolate modulator used in research. It is applied in studies of folate metabolism and as a potential chemosensitizer in oncology research, with utility in both in vitro and in vivo experimental models.
CAS Number
31690-11-6
Field of Research
Metabolism Research
Smiles
O=C1C=2N3[C@@] (CN (C3) C4=CC=C (C (N[C@@H] (CCC (O) =O) C (O) =O) =O) C=C4) (CNC2NC (N) =N1) [H]
Molecular Formula
C20H23N7O6
Molecular Weight
457.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Arfolitixorin

(6R)-5,10-methylenetetrahydrofolic acid is the (6R)-stereoisomer of 5,10-methylenetetrahydrofolic acid. It has a role as a cofactor, a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a (6R)-5,10-methylenetetrahydrofolate(2-).

CAS Number31690-11-6
PubChem CID135398645
IUPAC Name(2S)-2-[[4-[(6aR)-3-amino-1-oxo-2,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl]benzoyl]amino]pentanedioic acid
Molecular FormulaC20H23N7O6
Molecular Weight457.4
XLogP-0.5
Topological Polar Surface Area190
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity911
SMILES
C1[C@@H]2CN(CN2C3=C(N1)N=C(NC3=O)N)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12-,13+/m1/s1
InChIKey
QYNUQALWYRSVHF-OLZOCXBDSA-N
Chemical Structure
2D Structure
2D structure of Arfolitixorin
CAS: 31690-11-6
CID: 135398645
Formula: C20H23N7O6
MW: 457.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.4
XLogP3-0.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass457.17098148
Monoisotopic Mass457.17098148
Topological Polar Surface Area190 Ų
Heavy Atom Count33
Formal Charge0
Complexity911
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
MBS5776382Arfolitixorin
HY-109051A-01Arfolitixorin (calcium)
HY-109051CArfolitixorin (sulfate)
T85722-01Arfolitixorin sulfate
TRC-A427120-25MGArfolitixorin Hemisulfate Salt

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