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

CAS: 22033-87-0 Cat. No.: T288490 Molecular Weight: 399.65 EC Number: 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

Overview

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

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

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504769037
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769037
• Canonical Smiles: 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
• Isomeric 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
• Molecular Weight: 399.65

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 19.98, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 7.99, Max Conc. mM: 20
• Molecular Weight: 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