Nolatrexed dihydrochloride

Basic Information

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CAS Number

152946-68-4

Molecular Formula

C14H14Cl2N4OS

Molecular Weight

357.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

301-3020C

Boiling Point

493.6 ºCat 760 mmHg

Flash Point

252.3 ºC

SMILES

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CC1=C(C2=C(C=C1)N=C(NC2=O)N)SC3=CC=NC=C3.Cl.Cl

InChI

InChI=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

InChIKey

PJKVJJYMWOCLIJ-UHFFFAOYSA-N

LogP

3.203520000000001

pKa

4.1; 5.9; 9.8(at 25℃)

Topological Polar Surface Area

84.66 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

408

Safety Information

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Stability

Hygroscopic

Synonyms & References

English

2-amino-6-methyl-5-(pyridin-4-ylsulfanyl)-1,4-dihydroquinazolin-4-one dihydrochloride
A3358
NCGC00263580-01
152946-68-4
Tox21_112673_1
Thymitaq
2-Amino-6-methyl-5-(4-pyridinylthio)-4(1H)-quinazolinone dihydrochloride
NCGC00181023-01
2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;dihydrochloride
AKOS030239833
Nolatrexed HCl
3,4-Dihydro-2-amino-6-methyl-4-oxo-5-(4-pyridylthio)quinazoline dihydrochloride
FT-0673027
CS-0028903
2-amino-6-methyl-5-pyridin-4-ylsulfanyl-1H-quinazolin-4-one;dihydrochloride
2-Amino-6-methyl-5-(pyridin-4-ylthio)quinazolin-4(1H)-one dihydrochloride
3,4-dihydro-2-amino-6-methyl-4-oxo-5-(4-pyridylthio)-quinazoline dihydrochloride
BCP02372
J-523742
2-AMINO-3,4-DIHYDRO-6-METHYL-4-OXO-5-(4-PYRIDYLTHIO)-QUINAZOLINE DIHYDROCHLORIDE
2-amino-6-methyl-5-(pyridin-4-ylthio)quinazolin-4(3H)-one dihydrochloride
NOLATREXED DIHYDROCHLORIDE [MI]
AG337
CAS-152946-68-4
SCHEMBL316632
Q27253061
Nolatrexed 2HCl
Tox21_112673
EX-A2112
AG-337; NOL
C14H14Cl2N4OS

MDL Number

MFCD00917041

FAQ

What regulatory guidelines apply to Nolatrexed dihydrochloride (CAS: 152946-68-4)?

Nolatrexed dihydrochloride (CAS: 152946-68-4) is subject to regulatory guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA/EPA requirements. Manufacturers and handlers must ensure compliance with these guidelines to safely transport, store, and use the compound.

Are there alternatives to Nolatrexed dihydrochloride in synthesis?

In the synthesis of Nolatrexed dihydrochloride (CAS: 152946-68-4), alternative reagents such as other dihydrochlorides or similar compounds can be considered. However, these alternatives may vary in efficacy and cost. Research and development efforts often explore these options to find the most suitable reagents for specific applications.

What is the market or research trend for Nolatrexed dihydrochloride?

The market for Nolatrexed dihydrochloride (CAS: 152946-68-4) is driven by ongoing research in oncology, particularly in the treatment of acute myeloid leukemia. Recent trends include the development of new formulations and the exploration of combination therapies. Price trends are influenced by demand and supply dynamics in the pharmaceutical sector.

How should waste containing Nolatrexed dihydrochloride be handled?

Waste containing Nolatrexed dihydrochloride (CAS: 152946-68-4) should be collected in appropriate containers and stored under controlled conditions to prevent environmental contamination. Professional waste disposal services or incineration processes should be used for disposal. Handlers must follow local and national regulations to ensure safe and compliant waste management.