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Nolatrexed dihydrochloride structure, CAS 152946-68-4

Nolatrexed dihydrochloride

CAS Number152946-68-4

Synonyms2-Amino-6-methyl-5-(4-pyridinylsulfanyl)-4(1H)-quinazolinone dihydrochloride; Thymitaq; 2-Amino-6-methyl-5-(pyridin-4-ylsulfanyl)quinazolin-4(3H)-one dihydrochloride; MFCD00917041; 4(1H)-Quinazolinone, 2-amino-6-methyl-5-(4-pyridinylthio)-, hydrochloride (1:2); Nolatrexed dihydrochloride; AG 337

Molecular FormulaC14H14O1N4Cl2S1

Molecular Weight357.26

Purity98.00%

Density

Boiling Point493.6ºCat 760 mmHg

Melting Point301-302ºC

Flash Point

AppearanceYellow brown solid

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9011692 Purity: 98.00%
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Quality Control of [ 152946-68-4 ] Purity: 98.00% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number152946-68-4
Catalog No.2A-9011692
Chinese Name盐酸诺拉曲塞
Synonyms2-Amino-6-methyl-5-(4-pyridinylsulfanyl)-4(1H)-quinazolinone dihydrochloride; Thymitaq; 2-Amino-6-methyl-5-(pyridin-4-ylsulfanyl)quinazolin-4(3H)-one dihydrochloride; MFCD00917041; 4(1H)-Quinazolinone, 2-amino-6-methyl-5-(4-pyridinylthio)-, hydrochloride (1:2); Nolatrexed dihydrochloride; AG 337
Molecular FormulaC14H14O1N4Cl2S1
Molecular Weight357.26
Purity98.00
Boiling Point493.6ºCat 760 mmHg
Melting Point301-302ºC
AppearanceYellow brown solid
Storage ConditionHygroscopic, -20°C Freezer, Under Inert Atmosphere
ApplicationNolatrexed dihydrochloride (AG 337) is a noncompetitive inhibitor of thymidylate synthase that interacts with the enzyme's folate cofactor binding site and has a Ki of 11 nM for human thymidylate synt
MDL NumberMFCD00917041
SMILES[H+].[H+].[Cl-].[Cl-].Cc1ccc2NC(=NC(=O)c2c1Sc3ccncc3)N
InChIInChI=1S/C14H12N4OS.2ClH/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-6-16-7-5-9;;/h2-7H,1H3,(H3,15,17,18,19);2*1H
InChI KeyInChIKey=PJKVJJYMWOCLIJ-UHFFFAOYSA-N
MSDSmsds/11692_1_152946_68_4.pdf
Transport InfoProduct Name: Nolatrexed Hydrochloride
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