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Pelitrexol - 98%, high purity , GAR transformylase inhibitor, CAS No.446022-33-9, GAR transformylase inhibitor

COA

Grade & Purity:

≥98%

Cas Number: 446022-33-9
Molecular Weight: 463.51
PubChem CID: 135431074

In stock

Item Number

P649403

Grouped product items
SKU	Size	Availability	Price
P649403-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$580.90
P649403-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$880.90
P649403-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,500.90
P649403-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,000.90

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Antifolate (40) Cell Cycle (2830) Cell Cycle/DNA Damage (2602)

Basic Description

Synonyms	Pelitrexol (USAN/INN) \| (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 \| AG-2038 \| PELITREXOL [INN] \| NSC767745 \| NSC-767745 \| Pelitrexol [USAN] \| (2S)-2-[[
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Pelitrexol (AG 2037) is an inhibitor of glycinamide ribonucleotide formyltransferase ( GARFT ), a purine biosynthetic enzyme. Pelitrexol also inhibits mTORC1 by reducing GTP-bound Rheb level, a mTORC1 obligate activator. Pelitrexol shows robust tumor grow
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Action Type	INHIBITOR
Mechanism of action	GAR transformylase inhibitor
Product Description	Pelitrexol (AG 2037) is an inhibitor of glycinamide ribonucleotide formyltransferase ( GARFT ), a purine biosynthetic enzyme. Pelitrexol also inhibits mTORC1 by reducing GTP-bound Rheb level, a mTORC1 obligate activator. Pelitrexol shows robust tumor growth suppression in mice In Vitro Pelitrexo (150 nM; 24 h) profoundly inhibits mTORC1 activity by reducing intracellular guanine nucleotides level as well as GTP-bound Rheb protein level in A549 cells. Pelitrexo (0-1000 mM; 16 h) strongly inhibits the phosphorylation level of ribosomal protein S6 (S6RP), S6K1, and Chk1 in a dose-dependent manner in NCI-H460 cells. Pelitrexo (100 nM; 48 h) arrests cell cycle at G1 phase in NCI-H460 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Cycle AnalysisCell Line: NCI-H460 NSCLC Concentration: 100 nM Incubation Time: 4, 8, 24, 48 hours Result: Resulted 63% cells accumulation in G1 phase of the cell cycle. Cell Cycle AnalysisCell Line: NCI-H460 NSCLC Concentration: 0, 10, 30, 100, 300, 1000 nM Incubation Time: 16 hours Result: Inhibits the level of p-S6RP, p-S6K1, and p-Chk1. In Vivo Pelitrexo (10 mg/kg, 20 mg/kg; i.p.; every 4 days for 3 weeks) provokes both mTORC1 inhibition and robust tumor growth suppression in mice bearing nonsmall-cell lung cancer (NSCLC) xenografts . Pelitrexo (20 mg/kg; i.p.; every 4 days for 3 weeks) inhibits GARFT-dependent purine biosynthesis and blocks mTORC1 function . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Xenograft model of nonsmall-cell lung cancer (NSCLC) in mice Dosage: 10 mg/kg, 20 mg/kg Administration: Intraperitoneal injection; every 4 days for 3 weeks for group 1; administrated at 1, 4, 7 days for group 2 Result: Inhibited tumor growth by 64% and 69% at 10 mg/kg and 20 mg/kg, respectively in group 1. Inhibited mTORC1-dependent phosphorylation of S6K1, S6RP and CAD at 20 mg/kg in group 2. Form:Solid IC50& Target:GARFT

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Glutamic acid and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Glutamic acid and derivatives
Alternative Parents	N-acyl-alpha amino acids Pyridopyrimidines Thiophene carboxamides 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Pyrimidones Aminopyrimidines and derivatives Pyridines and derivatives Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Primary amines Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Glutamic acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Pyridopyrimidine - 2-heteroaryl carboxamide - Thiophene carboxamide - 2,3,5-trisubstituted thiophene - Thiophene carboxylic acid or derivatives - Aminopyrimidine - Pyrimidone - Dicarboxylic acid or derivatives - Pyridine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Thiophene - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(2S)-2-[[5-[2-[(6S)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]-4-methylthiophene-2-carbonyl]amino]pentanedioic acid
INCHI	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
InChIKey	QXOPTIPQEVJERB-JQWIXIFHSA-N
Smiles	CC1=C(SC(=C1)C(=O)NC(CCC(=O)O)C(=O)O)CCC2CC3=C(NC2)N=C(NC3=O)N
Isomeric SMILES	CC1=C(SC(=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC[C@H]2CC3=C(NC2)N=C(NC3=O)N
Alternate CAS	446022-33-9
PubChem CID	135431074
MeSH Entry Terms	pelitrexol
Molecular Weight	463.51

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 25 mg/mL (53.94 mM; Need ultrasonic)
Molecular Weight	463.500 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	463.153 Da
Monoisotopic Mass	463.153 Da
Topological Polar Surface Area	211.000 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	859.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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