PELITREXOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H25N5O6S
Molecular Weight	463.507
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(CC[C@@H]2CNC3=C(C2)C(=O)NC(N)=N3)SC(=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI

InChIKey=QXOPTIPQEVJERB-JQWIXIFHSA-N

InChI=1S/C20H25N5O6S/c1-9-6-14(18(29)23-12(19(30)31)3-5-15(26)27)32-13(9)4-2-10-7-11-16(22-8-10)24-20(21)25-17(11)28/h6,10,12H,2-5,7-8H2,1H3,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t10-,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H25N5O6S
Molecular Weight	463.507
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://clinicaltrials.gov/ct2/show/NCT00017524 | https://clinicaltrials.gov/ct2/show/NCT00078468 | https://adisinsight.springer.com/drugs/800010603

Pelitrexol (also known as AG2037) was developed by Pfizer as a glycinamide ribonucleotide formyltransferase inhibitor. This drug was studied in phase II clinical trials in patients with metastatic non-small cell lung cancer and in patients with metastatic colorectal cancer who failed treatment. In addition, the drug participated in a phase I clinical trial in treating patients who have advanced, metastatic, or recurrent solid tumors. Information about the further development of pelitrexol is not available.

Approval Year

PubMed

Title	Date	PubMed
Efficient chemoenzymatic synthesis of pelitrexol via enzymic differentiation of a remote stereocenter.	2006 Apr 13	16597133
Enzymatic resolution of racemates with a 'remote' stereogenic center as an efficient tool in drug, flavor and vitamin synthesis.	2014 Oct 15	25082510

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:14:32 GMT 2023` Edited by `admin` on `Sat Dec 16 16:14:32 GMT 2023`
Record UNII	DHT6E8M4KP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PELITREXOL

Official Name

English

PELITREXOL [USAN]

Common Name

English

(2S)-2-[[[5-[2-[(6S)-2-Amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl]-4-methylthiophen-2-yl]carbonyl]amino]pentanedioic acid

Systematic Name

English

AG2037

Code

English

pelitrexol [INN]

Common Name

English

AG-2037

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C1556