Products for Research Use Only
RegisterLogin

Arfolitixorin

CAT: 0804-HY-109051Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-109051Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Arfolitixorin is a potent 5-Fluorouracil (5-FU) moderator. Arfolitixorin is an immediately active form of Folate, [6R]-5,10-methylenetetrahydrofolate ([6R]-MTHF) . Arfolitixorin is potent for the research of metastatic colorectal cancer[1].
CAS Number
31690-11-6
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/Arfolitixorin.html
Smiles
O=C1NC(N)=NC2=C1N(CN(C3)C4=CC=C(C=C4)C(N[C@@H](CCC(O)=O)C(O)=O)=O)[C@]3([H])CN2
Molecular Formula
C20H23N7O6
Molecular Weight
457.44
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Carlsson G, et al. A phase I/II study of arfolitixorin and 5-fluorouracil in combination with oxaliplatin (plus or minus bevacizumab) or irinotecan in metastatic colorectal cancer. ESMO Open. 2022 Oct;7 (5) :100589.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
Phase 3

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
T85722-01Arfolitixorin sulfate
TRC-A427120-25MGArfolitixorin Hemisulfate Salt

Popular Products