TRO 19622 - Moligand™, 10mM in DMSO , CAS No.22033-87-0

CAS: 22033-87-0 Cat. No.: T422643 分子式: C₂₇H₄₅NO 分子量: 399.65 EC番号: 896-756-1 PubChem CID: 21763506

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

Olesoxime|Olesoxime, Z-|22033-87-0|UNII-I2QN18P645|I2QN18P645|66514-00-9|TRO 19622|(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|Chole

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

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

同義語

Olesoxime | Olesoxime, Z- | 22033-87-0 | UNII-I2QN18P645 | I2QN18P645 | 66514-00-9 | TRO 19622 | (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 | Chole

仕様と純度

Moligand™, 10mM in DMSO

生化学的・生理学的メカニズム

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

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

名前と識別子

• パブケム・シド: 528767440
• カノニカル・スマイル: 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
• 異性体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
• 分子量: 399.65

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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