(4S)-4-Hydroxy-L-isoleucine - 10mM in DMSO , CAS No.55399-93-4

CAS: 55399-93-4 Cat. No.: S424714 Molecular Weight: 147.17 Beilstein Registry Number: 4128096

GRADE & PURITY 10mM in DMSO

Synonyms

(4S)-4-Hydroxy-L-isoleucine, from fenugreek seed, >=98.0% (TLC) | (2S,3R,4S)-2-Amino-4-hydroxy-3-methylpentanoic acid (H-L-Ile(4-OH)-OH) | (2S,3R,4S)-4-HYDROXYISOLEUCINE | DTXCID20126438 | 2-Allyl-6-methylphenol, 98% | UNII-4SWT01T54O | rel-(2S,3R,4S)-2-A

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

(4S)-4-Hydroxy-L-isoleucine, from fenugreek seed, >=98.0% (TLC) | (2S, 3R, 4S)-2-Amino-4-hydroxy-3-methylpentanoic acid (H-L-Ile(4-OH)-OH) | (2S, 3R, 4S)-4-HYDROXYISOLEUCINE | DTXCID20126438 | 2-Allyl-6-methylphenol, 98% | UNII-4SWT01T54O | rel-(2S, 3R, 4S)-2-A

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

4-hydroxyisoleucine (Hil) in the seeds of Trigonella foenum-graecum (Trigonella foenum-graecum) is a potential insulin-stimulating (anti-diabetic) and anti-obesity amino acid. HIL stimulates glucose-dependent insulin secretion in pancreatic cells. HIL ACT

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC(C(C)O)C(C(=O)O)N
• IUPAC Name: (2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid
• InChIKey: OSCCDBFHNMXNME-YUPRTTJUSA-N
• INCHI: 1S/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t3-,4-,5-/m0/s1
• Isomeric SMILES: C[C@@H]([C@H](C)O)[C@@H](C(=O)O)N
• WGK Germany: 3
• Molecular Weight: 147.17
• Beilstein: 4128096
• Reaxy-Rn: 11036006
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11036006&ln=

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 Isoleucine 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: Isoleucine and derivatives
• Alternative Parents: L-alpha-amino acids Short-chain hydroxy acids and derivatives Methyl-branched fatty acids Hydroxy fatty acids 1,3-aminoalcohols Secondary alcohols Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Isoleucine or derivatives - Alpha-amino acid - L-alpha-amino acid - Branched fatty acid - Hydroxy fatty acid - Methyl-branched fatty acid - Short-chain hydroxy acid - Fatty acyl - Fatty acid - 1,3-aminoalcohol - Amino acid - Secondary alcohol - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Organic oxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: non-proteinogenic L-alpha-amino acid - amino alcohol - L-isoleucine derivative

Data sources

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Syrian golden hamster (1610 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): 147 °C
• Flash Point(°C): 147°C
• Molecular Weight: 147.170 g/mol
• XLogP3: -2.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 147.09 Da
• Monoisotopic Mass: 147.09 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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