Disodium 2-[(4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]pentanedioate

Basic Information

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CAS Number

7413-34-5

Molecular Formula

C20H20N8Na2O5

Molecular Weight

498.4 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

212-216°C

Boiling Point

823℃

Water Solubility

Soluble in water

SMILES

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CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H22N8O5.2Na/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);;/q;2*+1/p-2

InChIKey

DASQOOZCTWOQPA-UHFFFAOYSA-L

LogP

-0.84770

Complexity

693

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Hygroscopic

Synonyms & References

English

Folex
methotrexate disodium
4-Amino-N(sup 10)-methylpteroylglutamic acid disodium salt
METHOTREXATE SODIUM PRESERVATIVE FREE
CHEMBL3244648
Trexall
sodium (4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzoyl)-L-glutamate
Mexate-Aq
MFCD00274560
METHOTREXATE SODIUM [ORANGE BOOK]
Q27122181
BCP13700
EINECS 231-022-0
Methotrexate, Sodium Salt
METHOTREXATE SODIUM [VANDF]
METHOTREXATE DISODIUM SALT [MI]
disodium (2S)-2-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzamido)pentanedioate
Sodium L-(+)-methotrexate
SCHEMBL48420
3IG1E710ZN
Sodium, Methotrexate
METHOTREXATE SODIUM (MART.)
Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, disodium salt, L-(+)-
Abitextrate
Mexate-Aq Preserved
Methotrexate (disodium)
Methotrexate Preservative Free
Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, sodium salt
7413-34-5 (disodium)
Methotrexate (as disodium)
15475-56-6

MDL Number

MFCD00274560

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Disodium 2-[(4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]pentanedioate (CAS: 7413-34-5)?

Disodium 2-[(4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]pentanedioate (CAS: 7413-34-5) is a crystalline compound. It has a molecular weight of approximately 764.17 g/mol. The compound is moderately soluble in water and slightly soluble in ethanol. It exhibits good reactivity in acidic conditions and is stable in neutral and basic media. It is often used as a precursor in organic synthesis and pharmaceutical applications.

How is Disodium 2-[(4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]pentanedioate (CAS: 7413-34-5) typically synthesized?

Disodium 2-[(4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]pentanedioate (CAS: 7413-34-5) is typically synthesized through multistep organic synthesis involving condensation reactions, amino group modifications, and coupling reactions. Commonly used catalysts include Lewis acids and transition metal complexes. High yields are achieved with optimal conditions and purification methods.

What industries use Disodium 2-[(4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]pentanedioate (CAS: 7413-34-5)?

Disodium 2-[(4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]pentanedioate (CAS: 7413-34-5) is primarily used in the pharmaceutical industry for the synthesis of active pharmaceutical ingredients (APIs) and in research for drug discovery. It is also utilized in the polymer industry for developing novel materials with specific properties.

What precautions should be taken when handling Disodium 2-[(4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]pentanedioate (CAS: 7413-34-5)?

When handling Disodium 2-[(4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]pentanedioate (CAS: 7413-34-5), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. It should be stored in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate methods and materials, and the area should be thoroughly washed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.