FOLITIXORIN CALCIUM

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 Search

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	Ca
Molecular Weight	40.078
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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

Description
Sources: https://adisinsight.springer.com/drugs/800014320 | https://www.pharmacodia.com/yaodu/html/v1/chemicals/67da624214ee8e89992ce70459e669a3.html

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

Targets

Primary Target	Pharmacology	Condition	Potency
Thymidylate synthase 32 Target ID: CHEMBL1952 Sources: https://www.pharmacodia.com/yaodu/html/v1/chemicals/0338bf13624f52beaca91ec4a23c860c.html\|https://adisinsight.springer.com/drugs/800014320	Inhibitor 8297

PubMed

Title	Date	PubMed
Renal failure after high-dose methotrexate in a child homozygous for MTHFR C677T polymorphism.	2008 Jan	17387702

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:39:18 UTC 2023` Edited by `admin` on `Fri Dec 15 16:39:18 UTC 2023`
Record UNII	E24OC39JVA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FOLITIXORIN CALCIUM

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