TRO 19622 - Moligand™, ≥98%(HPLC) , CAS No.22033-87-0

CAS: 22033-87-0 Cat. No.: T288490 Peso molecular: 399.65 Número EC: 896-756-1 PubChem CID: 21763506

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

Q27271076 | AKOS005145744 | XAA03387 | N-[(1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ylidene]hydroxylamine | UNII-I2QN18P645 | (NZ)-N-[(8S,9S,10R,1

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

application：

TRO 19622 has been used as a mitochondrial permeability transition pore inhibitor in mouse neurons. TRO 19622 is also known to stimulate myelin repair in rat models of demyelination.

Specifications

Sinónimos

Q27271076 | AKOS005145744 | XAA03387 | N-[(1R, 3aS, 3bS, 9aR, 9bS, 11aR)-9a, 11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H, 2H, 3H, 3aH, 3bH, 4H, 5H, 7H, 8H, 9H, 9aH, 9bH, 10H, 11H, 11aH-cyclopenta[a]phenanthren-7-ylidene]hydroxylamine | UNII-I2QN18P645 | (NZ)-N-[(8S, 9S, 10R, 1

Especificaciones y pureza

Moligand™, ≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Neuroprotective and neuroregenerative compound. Rescues motor neurons from axotomy-induced cell death and promotes nerve regeneration following sciatic nerve crushin vivo. Binds directly to two components of the mitochondrial permeability pore, the voltag

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504769037
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769037
• Sonrisas canónicas: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=NO)CCC34C)C
• IUPAC Name: (NZ)-N-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine
• InChIKey: QNTASHOAVRSLMD-FCARAQADSA-N
• INCHI: 1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25,29H,6-16H2,1-5H3/b28-21-/t19-,22+,23-,24+,25+,26+,27-/m1/s1
• Isómeros SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C/C(=N\O)/CC[C@]34C)C
• PubChem CID: 21763506
• Peso molecular: 399.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Steroids and steroid derivatives
      • Subclass Cholestane steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Cholestane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cholestane steroids
• Alternative Parents: Delta-4-steroids Oximes Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Cholestane-skeleton - Delta-4-steroid - Oxime - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cholestane steroids. These are steroids with a structure containing the 27-carbon cholestane skeleton.
• 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

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 19.98, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 7.99, Max Conc. mM: 20
• Peso molecular: 399.700 g/mol
• XLogP3: 8.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 399.35 Da
• Monoisotopic Mass: 399.35 Da
• Topological Polar Surface Area: 32.600 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 663.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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