Lytixar , Cell membrane disrupting agent, CAS No.1166254-80-3, Cell membrane disrupting agent

CAS: 1166254-80-3 Cat. No.: L671177 Fórmula: C₄₃H₆₉N₁₁O₃ Peso molecular: 788.1

Synonyms

LTX-109 | CHEMBL1817968 | LTX109 | DB12711 | LTX 109 | SCHEMBL24838014 | (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]amino]-1-oxo-3-(2,5,7-tritert-butyl-1H-indol-3-yl)propan

Storage

Room temperature

Specifications

Sinónimos

LTX-109 | CHEMBL1817968 | LTX109 | DB12711 | LTX 109 | SCHEMBL24838014 | (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]amino]-1-oxo-3-(2,5,7-tritert-butyl-1H-indol-3-yl)propan

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

DISRUPTING AGENT

Mecanismo de acción

Cell membrane disrupting agent

Propiedades del producto

ALogP

4.9

Nombres e identificadores

Sonrisas canónicas

CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)NC(=C2CC(C(=O)NC(CCCN=C(N)N)C(=O)NCCC3=CC=CC=C3)NC(=O)C(CCCN=C(N)N)N)C(C)(C)C

IUPAC Name

(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]amino]-1-oxo-3-(2,5,7-tritert-butyl-1H-indol-3-yl)propan-2-yl]pentanamide

InChIKey

ZVOYWSKEBVVLGW-ZDCRTTOTSA-N

INCHI

1S/C43H69N11O3/c1-41(2,3)27-23-28-29(35(43(7,8)9)54-34(28)30(24-27)42(4,5)6)25-33(53-36(55)31(44)17-13-20-50-39(45)46)38(57)52-32(18-14-21-51-40(47)48)37(56)49-22-19-26-15-11-10-12-16-26/h10-12,15-16,23-24,31-33,54H,13-14,17-22,25,44H2,1-9H3,(H,49,5

Isómeros SMILES

CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)NC(=C2C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCCC3=CC=CC=C3)NC(=O)[C@H](CCCN=C(N)N)N)C(C)(C)C

Peso molecular

788.1

Reaxy-Rn

29423294

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29423294&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: N-acyl-alpha amino acids and derivatives Tryptamines and derivatives Alpha amino acid amides 3-alkylindoles Substituted pyrroles N-acyl amines Benzene and substituted derivatives Heteroaromatic compounds Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-oligopeptide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Triptan - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Monocyclic benzene moiety - Fatty amide - Fatty acyl - N-acyl-amine - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Guanidine - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Primary amine - Carbonyl group - Organic oxide - Organopnictogen compound - Primary aliphatic amine - Amine - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: 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: monocarboxylic acid amide - tripeptide

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

Objetivos asociados (humanos)

HeLa (62764 Activities)

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Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Cyberlindnera jadinii (900 Activities)

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Aspergillus fumigatus (16427 Activities)

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Candida (1648 Activities)

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Candida albicans (78123 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 788.100 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 21
• Exact Mass: 787.558 Da
• Monoisotopic Mass: 787.558 Da
• Topological Polar Surface Area: 258.000 Ų
• Heavy Atom Count: 57
• Formal Charge: 0
• Complexity: 1350.000
• 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

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1166254-80-3, the molecular formula is C43H69N11O3, and the molecular weight is 788.1 g/mol. InChIKey ZVOYWSKEBVVLGW-ZDCRTTOTSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.