Ciclosporina H - Moligand™, ≥95% , Antagonist of FPR1, CAS No.83602-39-5, Antagonist of FPR1

CAS: 83602-39-5 Cat. No.: C274694 Peso molecular: 1202.61 Número EC: 876-190-1

GRADE & PURITY Moligand™, ≥95%

Synonyms

Q27278214 | 5-(N-Methyl-D-valine)cyclosporin A | 5-(N-Methyl-D-valine)cyclosporine A | FUO6O3NDNH | [D-MeVal]11-CsA | Csh cyclosporin | EX-A2225 | SANDOZ-37-839 | NCGC00386167-01 | PMATZTZNYRCHOR-JLPRAAIDSA-N | (3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-et

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

Q27278214 | 5-(N-Methyl-D-valine)cyclosporin A | 5-(N-Methyl-D-valine)cyclosporine A | FUO6O3NDNH | [D-MeVal]11-CsA | Csh cyclosporin | EX-A2225 | SANDOZ-37-839 | NCGC00386167-01 | PMATZTZNYRCHOR-JLPRAAIDSA-N | (3R, 6S, 9S, 12R, 15S, 18S, 21S, 24S, 30S, 33S)-30-et

Especificaciones y pureza

Moligand™, ≥95%

Mecanismos bioquímicos y fisiológicos

Inhibidor de TPA/PMA. Inhibidor selectivo de los receptores del péptido formilo (K i = 0, 1 µM). Inhibe la fosforilación de EF-2 dependiente de Ca 2+ /calmodulina. Inhibe la formación de anión superóxido inducida por FMLP (IC 50 = 40 nM). Efectos biológico

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Antagonist of FPR1

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

• Pubchem Sid: 504764249
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764249
• Sonrisas canónicas: CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
• IUPAC Name: (3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
• InChIKey: PMATZTZNYRCHOR-JLPRAAIDSA-N
• INCHI: 1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50-,51+,52-/m1/s1
• Isómeros SMILES: CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
• Peso molecular: 1202.61
• Reaxy-Rn: 25171049
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25171049&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Peptidomimetics
      • Subclass Peptoid-peptide hybrids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Peptidomimetics
• Subclass: Peptoid-peptide hybrids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclosporins
• Alternative Parents: Oligopeptides Macrolactams Alpha amino acids and derivatives Tertiary carboxylic acid amides Secondary carboxylic acid amides Secondary alcohols Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Cyclosporin-backbone - Alpha-oligopeptide - Macrolactam - Alpha-amino acid or derivatives - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclosporins. These are cyclic depsipeptides containing the cyclosporin backbone.
• 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

Objetivos asociados (humanos)

FPR1 Tchem fMet-Leu-Phe receptor (0 Activities)

Discover Target: FPR1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO and in ethanol
• Peso molecular: 1202.600 g/mol
• XLogP3: 7.500
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 15
• Exact Mass: 1201.84 Da
• Monoisotopic Mass: 1201.84 Da
• Topological Polar Surface Area: 279.000 Ų
• Heavy Atom Count: 85
• Formal Charge: 0
• Complexity: 2330.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 12
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1