beta-Alanylhistidine

Basic Information

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CAS Number

9001-36-9

Molecular Formula

C9H14N4O3

Molecular Weight

226.24 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

Basic Physical Properties

SMILES

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c1c([nH]cn1)CC(C(=O)O)NC(=O)CCN

InChI

InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)

InChIKey

CQOVPNPJLQNMDC-UHFFFAOYSA-N

LogP

-1.129599999999999

Topological Polar Surface Area

121.10000000000001 Å²

Hydrogen Bond Donor/Acceptor

5 / 7

Synonyms & References

English

EC 2.7.1.2
GLUCOKINASE
ATP: D-GLUCOSE-6-PHOSPHOTRANSFERASE
glucokinase from bacillus*stearothermophilus
Glucokinase from Bacillus stearothermophilus,ATP:D-glucose-6-phosphotransferase
Glucokinase from Human, recombinant
Glucokinase from Escherichia coli, Recombinant
Native Zymomonas mobilis Glucokinase
Kinase(phosphorylating), gluco-
ATP:D-glucose-6-phosphotransferase
glucokinase
Glucokinase（HK IV）
Kinase (phosphorylating), gluco- (9CI)
E.C. 2.7.1.2
Glucokinase 1
Glucokinase GK1
Glucokinases
Glycokinase (E.C. 2.7.1.2)
Hexokinase (E.C. 2.7.1.2)
MeSH ID: D005941

FAQ

What are the physical and chemical properties of beta-Alanylhistidine (CAS: 9001-36-9)?

Beta-Alanylhistidine (CAS: 9001-36-9) is a crystalline compound with a molecular weight of approximately 192.25 g/mol. It has a solubility of around 50 mg/mL in water and is relatively unreactive. This compound is stable under normal temperature and pressure conditions but should be stored in a cool, dry place to prevent degradation.

How is beta-Alanylhistidine (CAS: 9001-36-9) typically synthesized?

Beta-Alanylhistidine (CAS: 9001-36-9) is typically synthesized through the condensation of L-alanine and L-histidine. Commonly, this reaction is catalyzed by a peptide synthetase. The yield is usually around 80%, and the selectivity for the β linkage is high, making this a reliable method for its production.

What industries use beta-Alanylhistidine (CAS: 9001-36-9)?

Beta-Alanylhistidine (CAS: 9001-36-9) is used in various industries. It is particularly important in pharmaceuticals, where it serves as a precursor in the synthesis of certain peptides. Additionally, it is utilized in research for its potential in developing new drug delivery systems and as a component in polymer synthesis and sensor applications.

What precautions should be taken when handling beta-Alanylhistidine (CAS: 9001-36-9)?

When handling beta-Alanylhistidine (CAS: 9001-36-9), it is important to use appropriate personal protective equipment (PPE) such as gloves and goggles. It should be stored in a cool, dry place, and any spills should be cleaned up with appropriate care. For detailed safety information, refer to the Safety Data Sheet (SDS) for proper handling and emergency procedures.