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Details

Stereochemistry EPIMERIC
Molecular Formula C20H21N7O6.Ca
Molecular Weight 495.502
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FOLITIXORIN CALCIUM

SMILES

[Ca++].NC1=NC(=O)C2=C(NCC3CN(CN23)C4=CC=C(C=C4)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N1

InChI

InChIKey=AKUPTUNGFOADRT-ZEDZUCNESA-L
InChI=1S/C20H23N7O6.Ca/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);/q;+2/p-2/t12?,13-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C20H21N7O6
Molecular Weight 455.424
Charge -2
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Folitixorin, a thymidylate synthase inhibitor is a substrate used by the enzyme methylenetetrahydrofolate reductase (MTHFR) to generate 5-methyltetrahydrofolate. Folitixorin was studied in clinical trials for the treatment of breast cancer, metastatic colorectal cancer and for the treatment of advanced pancreatic cancer. Folitixorin had been granted orphan drug status for the treatment of pancreatic cancer in both the U.S. and EU. However, further development of this drug was discontinued.

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Substance Class Chemical
Created
by admin
on Thu Jul 06 00:04:25 UTC 2023
Edited
by admin
on Thu Jul 06 00:04:25 UTC 2023
Record UNII
E24OC39JVA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FOLITIXORIN CALCIUM
USAN   WHO-DD  
USAN  
Official Name English
ANX-510
Code English
Folitixorin calcium [WHO-DD]
Common Name English
L-GLUTAMIC ACID, N-(4-(3-AMINO-1,2,5,6,6A,7-HEXAHYDRO-1-OXOIMIDAZO(1,5-F)PTERIDIN-8(9H)-YL)BENZOYL)-, CALCIUM SALT (1:1)
Common Name English
Calcium (2S)-2-[[4-(3-amino-1-oxo-1,4,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl)benzoyl]amino]pentanedioate
Common Name English
FOLITIXORIN CALCIUM [USAN]
Common Name English
Code System Code Type Description
CAS
133978-75-3
Created by admin on Thu Jul 06 00:04:25 UTC 2023 , Edited by admin on Thu Jul 06 00:04:25 UTC 2023
PRIMARY
USAN
SS-93
Created by admin on Thu Jul 06 00:04:25 UTC 2023 , Edited by admin on Thu Jul 06 00:04:25 UTC 2023
PRIMARY
PUBCHEM
135540812
Created by admin on Thu Jul 06 00:04:25 UTC 2023 , Edited by admin on Thu Jul 06 00:04:25 UTC 2023
PRIMARY
FDA UNII
E24OC39JVA
Created by admin on Thu Jul 06 00:04:25 UTC 2023 , Edited by admin on Thu Jul 06 00:04:25 UTC 2023
PRIMARY
DRUG BANK
DB05308
Created by admin on Thu Jul 06 00:04:25 UTC 2023 , Edited by admin on Thu Jul 06 00:04:25 UTC 2023
PRIMARY
NCI_THESAURUS
C170001
Created by admin on Thu Jul 06 00:04:25 UTC 2023 , Edited by admin on Thu Jul 06 00:04:25 UTC 2023
PRIMARY
SMS_ID
300000044561
Created by admin on Thu Jul 06 00:04:25 UTC 2023 , Edited by admin on Thu Jul 06 00:04:25 UTC 2023
PRIMARY
EPA CompTox
DTXSID40928370
Created by admin on Thu Jul 06 00:04:25 UTC 2023 , Edited by admin on Thu Jul 06 00:04:25 UTC 2023
PRIMARY
ChEMBL
CHEMBL117348
Created by admin on Thu Jul 06 00:04:25 UTC 2023 , Edited by admin on Thu Jul 06 00:04:25 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY