CG200745 - Moligand™, ≥95% , CAS No.936221-33-9

CAS: 936221-33-9 Cat. No.: C608490 분자식: C₂₄H₃₃N₃O₄ 분자량: 427.54 PubChem CID: 16117309

GRADE & PURITY Moligand™, ≥95%

Synonyms

CG 2 (HDAC INHIBITOR) | HY-16138 | (E)-N-(3-(Dimethylamino)propyl)-N'-hydroxy-2-((1-naphthyloxy)methyl)-2-octenediamide | CG200745 | CG-200745 | IVALTINOSTAT [INN] | (E)-N-[3-(dimethylamino)propyl]-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Ivaltinostat (CG-200745) is an active, potent pan-HDAC inhibitor which has the hydroxamic acid moiety to bind zinc at the bottom of catalytic pocket. Ivaltinostat inhibits deacetylation of histone H3 and tubulin. Ivaltinostat induces the accumulation of p53, promotes p53-dependent transactivation, and enhances the expression of MDM2 and p21 (Waf1/Cip1) proteins. Ivaltinostat enhances the sensitivity of Gemcitabine-resistant cells to Gemcitabine (HY-16138) and 5-Fluorouracil (5-FU; HY-90006). Ivaltinostat induces apoptosis and has anti-tumour effects.

Specifications

동의어

CG 2 (HDAC INHIBITOR) | HY-16138 | (E)-N-(3-(Dimethylamino)propyl)-N'-hydroxy-2-((1-naphthyloxy)methyl)-2-octenediamide | CG200745 | CG-200745 | IVALTINOSTAT [INN] | (E)-N-[3-(dimethylamino)propyl]-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide |

사양 및 순도

Moligand™, ≥95%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

ACTIVATOR

순수함

≥95%

이름과 식별자

• 정식 스마일: CN(C)CCCNC(=O)C(=CCCCCC(=O)NO)COC1=CC=CC2=CC=CC=C21
• IUPAC Name: (E)-N-[3-(dimethylamino)propyl]-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide
• InChIKey: AUGCSOFQTDKPSO-RGVLZGJSSA-N
• INCHI: 1S/C24H33N3O4/c1-27(2)17-9-16-25-24(29)20(11-4-3-5-15-23(28)26-30)18-31-22-14-8-12-19-10-6-7-13-21(19)22/h6-8,10-14,30H,3-5,9,15-18H2,1-2H3,(H,25,29)(H,26,28)/b20-11+
• 이성체 SMILES: CN(C)CCCNC(=O)/C(=C/CCCCC(=O)NO)/COC1=CC=CC2=CC=CC=C21
• 대체 CAS: 936221-33-9
• PubChem CID: 16117309
• MeSH 용어: CG200745;N1-(3-(dimethylamino)propyl)-N8-hydroxy-2-((naphthalene-1-loxy)methyl)oct-2-enediamide
• 분자량: 427.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Phenol ethers Alkyl aryl ethers N-acyl amines Trialkylamines Secondary carboxylic acid amides Hydroxamic acids Amino acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Phenol ether - Alkyl aryl ether - N-acyl-amine - Amino acid or derivatives - Carboxamide group - Hydroxamic acid - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Ether - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

화학 및 물리적 특성

• 분자량: 427.500 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 13
• Exact Mass: 427.247 Da
• Monoisotopic Mass: 427.247 Da
• Topological Polar Surface Area: 90.900 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 579.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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