Toxina HC - ≥98% , CAS No.83209-65-8

CAS: 83209-65-8 Cat. No.: H276135 Fórmula: C₂₁H₃₂N₄O₆ Peso molecular: 436.5 Número CE: 804-302-0

GRADE & PURITY ≥98%

Synonyms

HC-TOXIN I | DTXSID001003201 | TOXIN I (HELMINTHOSPORIUM CARBONUM) | Cyclic(L-alanyl-D-alanyl-eta-oxo-L-alpha-aminooxiraneoctanoyl-D-prolyl) | CYCLO(L-ALANYL-D-ALANYL-8-OXIRANYL-8-OXO-2-AMINOOCTANOYL-D-PROLYL) | (3S,6R,9S,12R)-6,9-dimethyl-3-[6-[(2S)-oxir

Storage

Armazenar a -20°C,Dessecado

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

Armazenar a -20°C. Armazenar em condições de dessecação. O produto pode ser armazenado até 12 meses.

Specifications

Sinónimos

HC-TOXIN I | DTXSID001003201 | TOXIN I (HELMINTHOSPORIUM CARBONUM) | Cyclic(L-alanyl-D-alanyl-eta-oxo-L-alpha-aminooxiraneoctanoyl-D-prolyl) | CYCLO(L-ALANYL-D-ALANYL-8-OXIRANYL-8-OXO-2-AMINOOCTANOYL-D-PROLYL) | (3S,6R,9S,12R)-6,9-dimethyl-3-[6-[(2S)-oxir

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Inibidor potente e permeável à célula da histona desacetilase (HDAC). HDAC de E. tenella (IC 50 = 30 nM), HDAC 11 humana (IC 50 = 430 nM). Induz apoptose. Apresenta atividade antiprotozoária e antitumorigénica. Ativo in vitro e in vivo.

Condições de armazenamento de armazenamento

Armazenar a -20°C,Dessecado

Enviado em

Arca de gelo + almofadas de gelo

Tipo de ação

INHIBITOR

Nota

Sempre que possível, deve preparar e utilizar as soluções no mesmo dia. No entanto, se precisar de preparar soluções de reserva com antecedência, recomendamos que guarde a solução como alíquotas em frascos hermeticamente fechados a -20°C. Em geral, estas podem ser utilizadas durante um mês. Antes de utilizar, e antes de abrir o frasco, recomendamos que deixe o produto equilibrar-se à temperatura ambiente durante pelo menos 1 hora. Tóxico, consulte o SDS para mais informações. Precisa de mais conselhos sobre solubilidade, utilização e manuseamento? Visite a nossa página de perguntas frequentes (FAQ) para obter mais informações.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504767524
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767524
• Sorrisos canónicos: CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C)CCCCCC(=O)C3CO3
• IUPAC Name: (3S,6R,9S,12R)-6,9-dimethyl-3-[6-[(2S)-oxiran-2-yl]-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
• InChIKey: GNYCTMYOHGBSBI-SVZOTFJBSA-N
• INCHI: 1S/C21H32N4O6/c1-12-18(27)22-13(2)19(28)24-14(7-4-3-5-9-16(26)17-11-31-17)21(30)25-10-6-8-15(25)20(29)23-12/h12-15,17H,3-11H2,1-2H3,(H,22,27)(H,23,29)(H,24,28)/t12-,13+,14-,15+,17-/m0/s1
• SMILES isoméricas: C[C@@H]1C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N1)C)CCCCCC(=O)[C@@H]3CO3
• Peso molecular: 436.5
• Reaxy-Rn: 4729823
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4729823&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Cyclic peptides Macrolactams Alpha amino acids and derivatives Monosaccharides Tertiary carboxylic acid amides Pyrrolidines Secondary carboxylic acid amides Ketones Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Epoxides Organonitrogen compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Alpha-oligopeptide - Cyclic alpha peptide - Macrolactam - Alpha-amino acid or derivatives - Monosaccharide - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Ketone - Lactam - Secondary carboxylic acid amide - Dialkyl ether - Oxirane - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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)

HDAC8 Tclin Histone deacetylase 8 (4516 Activities)

Discover Target: HDAC8

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

HDAC2 Tclin Histone deacetylase 2 (3971 Activities)

Discover Target: HDAC2

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

HDAC3 Tclin Histone deacetylase 3 (3654 Activities)

Discover Target: HDAC3

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

Alvos associados (não humanos)

Hdac1 Histone deacetylase 1 (93 Activities)

Discover Target: Hdac1

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

HD1 Histone deacetylase (38 Activities)

Discover Target: HD1

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

Mus musculus (284745 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: 436.500 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 436.232 Da
• Monoisotopic Mass: 436.232 Da
• Topological Polar Surface Area: 137.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 741.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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