Bestatin methyl ester - ≥97% , CAS No.65322-89-6

CAS: 65322-89-6 Cat. No.: B275720 Fórmula: C₁₇H₂₆N₂O₄ Peso molecular: 322.4

GRAU & PUREZA ≥97%

Synonyms

Bestatin Methyl Ester | BDBM50251279 | (S)-methyl 2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-4-methylpentanoate | Methyl Bestatin | DTXSID20432965 | SCHEMBL9574604 | AT39119 | methyl (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methy

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

Store at +4°C. The product can be stored for up to 12 months.

Especificações

Sinónimos

Bestatin Methyl Ester | BDBM50251279 | (S)-methyl 2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-4-methylpentanoate | Methyl Bestatin | DTXSID20432965 | SCHEMBL9574604 | AT39119 | methyl (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methy

Especificações e pureza

≥97%

Mecanismos bioquímicos e fisiológicos

Cell-permeable derivative of Bestatin. Displays slightly stronger inhibition of neutral aminopeptidase than Bestatin but has much weaker activity against basic aminopeptidase.

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

CC(C)CC(C(=O)OC)NC(=O)C(C(CC1=CC=CC=C1)N)O

IUPAC Name

methyl (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoate

InChIKey

WGNKTWBIPBOGLO-ILXRZTDVSA-N

INCHI

1S/C17H26N2O4/c1-11(2)9-14(17(22)23-3)19-16(21)15(20)13(18)10-12-7-5-4-6-8-12/h4-8,11,13-15,20H,9-10,18H2,1-3H3,(H,19,21)/t13-,14+,15+/m1/s1

SMILES isoméricas

CC(C)C[C@@H](C(=O)OC)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O

Peso molecular

322.4

Reaxy-Rn

48731900

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=48731900&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Peptidomimetics
      • Subclass Hybrid peptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Peptidomimetics
• Subclass: Hybrid peptides
• Intermediate Tree Nodes: Not available
• Direct Parent: Hybrid peptides
• Alternative Parents: Leucine and derivatives Alpha amino acid esters N-acyl-alpha amino acids and derivatives Beta amino acids and derivatives Amphetamines and derivatives Aralkylamines Fatty acid esters N-acyl amines Monosaccharides Methyl esters Secondary carboxylic acid amides Secondary alcohols Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hybrid peptide - Leucine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Beta amino acid or derivatives - Alpha-amino acid or derivatives - Amphetamine or derivatives - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Monosaccharide - N-acyl-amine - Benzenoid - Methyl ester - Amino acid or derivatives - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Alcohol - Organonitrogen compound - Organooxygen compound - Primary amine - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
• External Descriptors: Not available

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

Alvos associados (humanos)

BIRC2 Tchem Baculoviral IAP repeat-containing protein 2 (1 Activities)

Discover Target: BIRC2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BIRC3 Tchem Baculoviral IAP repeat-containing protein 3 (1 Activities)

Discover Target: BIRC3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HT-1080 (3966 Activities)

Explore this target

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

IMR-32 (1082 Activities)

Explore this target

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

BIRC3 Tchem Baculoviral IAP repeat-containing protein 3 (320 Activities)

Discover Target: BIRC3

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

BIRC2 Tchem Baculoviral IAP repeat-containing protein 2 (984 Activities)

Discover Target: BIRC2

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

ABL1 Tclin Bcr/Abl fusion protein (1667 Activities)

Discover Target: ABL1

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

CRABP2 Tchem Complex of retinoic acid binding (CRABPII) and inhibitor of apoptosis (cIAP1) proteins (18 Activities)

Discover Target: CRABP2

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

Alvos associados (não humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO
• Peso molecular: 322.400 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 322.189 Da
• Monoisotopic Mass: 322.189 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 381.000
• 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