Bactenecin - ≥95% , CAS No.116229-36-8

CAS: 116229-36-8 Cat. No.: B275327 Peso molecular: 1483.89 PubChem CID: 163998

GRADE & PURITY ≥95%

Synonyms

Bactenecina | Bactenecina, bovina | 2-[[28-[[2-[[2-amino-5-(diaminometilideneamino)pentoil]amino]-4-metilpentoil]amino]-13,22-di(butan-2-yl)-10,25-bis[3-(diaminomethylideneamino)propyl]-6,9,12,15,18,21,24,27-octaoxo-7,16,19-tri(propan-2-yl)-1,2-dithia

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Descripción general

Almacenar a +4°C. El producto puede almacenarse hasta 12 meses.

Specifications

Sinónimos

Bactenecina | Bactenecina, bovina | 2-[[28-[[2-[[2-amino-5-(diaminometilideneamino)pentoil]amino]-4-metilpentoil]amino]-13, 22-di(butan-2-yl)-10, 25-bis[3-(diaminomethylideneamino)propyl]-6, 9, 12, 15, 18, 21, 24, 27-octaoxo-7, 16, 19-tri(propan-2-yl)-1, 2-dithia

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

Potente agente antibiótico catiónico derivado de los neutrófilos. Muestra efectos bactericidas. También muestra efectos citotóxicos contra el glioblastoma, los astrocitos y las neuronas embrionarias.

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. Sin embargo, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante una semana. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)C(C)C)CCCN=C(N)N)C(C)CC)C(C)C)C(C)C
• IUPAC Name: 2-[[28-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-13,22-di(butan-2-yl)-10,25-bis[3-(diaminomethylideneamino)propyl]-6,9,12,15,18,21,24,27-octaoxo-7,16,19-tri(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26-octazacyclononacosane-4-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
• InChIKey: RHISNKCGUDDGEG-UHFFFAOYSA-N
• INCHI: 1S/C63H118N24O13S2/c1-13-34(11)46-57(97)78-38(21-17-25-75-62(69)70)49(89)83-43(31(5)6)54(94)82-42(53(93)79-39(59(99)100)22-18-26-76-63(71)72)29-102-101-28-41(81-51(91)40(27-30(3)4)80-48(88)36(64)19-15-23-73-60(65)66)52(92)77-37(20-16-24-74-61(67)68)50(90)86-47(35(12)14-2)58(98)85-44(32(7)8)55(95)84-45(33(9)10)56(96)87-46/h30-47H,13-29,64H2,1-12H3,(H,77,92)(H,78,97)(H,79,93)(H,80,88)(H,81,91)(H,82,94)(H,83,89)(H,84,95)(H,85,98)(H,86,90)(H,87,96)(H,99,100)(H4,65,66,73)(H4,67,68,74)(H4,69,70,75)(H4,71,72,76)
• Isómeros SMILES: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)C(C)C)CCCN=C(N)N)C(C)CC)C(C)C)C(C)C
• PubChem CID: 163998
• Peso molecular: 1483.89

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • Clase Polypeptides

• Kingdom: Organic compounds
• Superclass: Organic Polymers
• Clase: Polypeptides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polypeptides
• Alternative Parents: Cyclic peptides Leucine and derivatives N-acyl-alpha amino acids Macrolactams Alpha amino acid amides Heterocyclic fatty acids Branched fatty acids N-acyl amines Secondary carboxylic acid amides Organic disulfides Lactams Guanidines Amino acids Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Polypeptide - Cyclic alpha peptide - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Macrolactam - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Heterocyclic fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - N-acyl-amine - Fatty amide - Amino acid - Secondary carboxylic acid amide - Organic disulfide - Lactam - Guanidine - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
• 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

Propiedades químicas y físicas

• Peso molecular: 1483.900 g/mol
• XLogP3: -4.000
• Hydrogen Bond Donor Count: 21
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 32
• Exact Mass: 1482.88 Da
• Monoisotopic Mass: 1482.88 Da
• Topological Polar Surface Area: 692.000 Ų
• Heavy Atom Count: 102
• Formal Charge: 0
• Complexity: 2890.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 14
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1