Chidamide impurity - Moligand™, ≥98% , Inhibitor of histone deacetylase 1, CAS No.743420-02-2, Inhibitor of histone deacetylase 1

Name: Chidamide impurity - Moligand™, ≥98% , Inhibitor of histone deacetylase 1, CAS No.743420-02-2, Inhibitor of histone deacetylase 1
SKU: C338042
Availability: InStock

CAS: 743420-02-2 Cat. No.: C338042 Formule: C₂₂H₁₉FN₄O₂ Poids moléculaire: 390.41

1 Citations COA

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Chidamide impurity - Moligand™, ≥98% CAS No(743420-02-2) by Aladdin Scientific

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DISPONIBLE À COMMANDE

GRADE & PURITY Moligand™ ? ≥98%

Synonyms

HDAC-IN-7 | HBI-8000;CS-055 | N-(2-amino-5-fluorophenyl)-4-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide | (E)-N-(2-amino-5-fluorophenyl)-4-((3-(pyridin-3-yl)acrylamido)methyl)benzamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble Specifications Noms et identifiants Documentation Advanced Data Taxonomic Classification Structure 3D Cibles associées (humaines) Cibles associées (non humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Citations of This Product Références Calculateurs de solution Avis

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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Vue d’ensemble

Chidamide is an HDAC (histone deacetylase) inhibitor that increases histone H3 acetylation levels in LoVo and HT29 colon cancer cells at concentrations as low as 4 μM.

Specifications

Synonymes

HDAC-IN-7 | HBI-8000;CS-055 | N-(2-amino-5-fluorophenyl)-4-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide | (E)-N-(2-amino-5-fluorophenyl)-4-((3-(pyridin-3-yl)acrylamido)methyl)benzamide

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of histone deacetylase 1

Pureté

≥98%

Noms et identifiants

Pubchem Sid	528775688
Sourires canoniques	C1=CC(=CN=C1)C=CC(=O)NCC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)F)N
IUPAC Name	N-(2-amino-5-fluorophenyl)-4-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide
InChIKey	WXHHICFWKXDFOW-BJMVGYQFSA-N
INCHI	1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+
Isomères SMILES	C1=CC(=CN=C1)/C=C/C(=O)NCC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)F)N
CAS alternatif	1883690-47-8
Poids moléculaire	390.41
Reaxy-Rn	20992484
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20992484&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Classe Benzene and substituted derivatives
    - Subclass Anilides
      - Level5 Aromatic anilides
        Level6 Benzanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Aromatic anilides
Direct Parent	Benzanilides
Alternative Parents	Benzamides Benzoyl derivatives Aniline and substituted anilines Fluorobenzenes Pyridines and derivatives Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzanilide - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Organic oxide - Carbonyl group - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
External Descriptors	Not available
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

Structure 3D

Cibles associées (humaines)

HDAC1 Tclin Histone deacetylase 1 (7 Activities)

Discover Target: HDAC1

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

HDAC2 Tclin Histone deacetylase 2 (5 Activities)

Discover Target: HDAC2

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

HDAC10 Tclin Histone deacetylase 10 (1 Activities)

Discover Target: HDAC10

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

HDAC3 Tclin Histone deacetylase 3 (1 Activities)

Discover Target: HDAC3

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HDAC8 Tclin Histone deacetylase 8 (4516 Activities)

Discover Target: HDAC8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HDAC10 Tclin Histone deacetylase 10 (801 Activities)

Discover Target: HDAC10

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HDAC2 Tclin Histone deacetylase 2 (3971 Activities)

Discover Target: HDAC2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HDAC3 Tclin Histone deacetylase 3 (3654 Activities)

Discover Target: HDAC3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HDAC4 Tclin Histone deacetylase 4 (2328 Activities)

Discover Target: HDAC4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)

Discover Target: PARP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HDAC9 Tclin Histone deacetylase 9 (708 Activities)

Discover Target: HDAC9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HDAC11 Tclin Histone deacetylase 11 (967 Activities)

Discover Target: HDAC11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HDAC7 Tclin Histone deacetylase 7 (1047 Activities)

Discover Target: HDAC7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A-375 (9258 Activities)

Lot Number	Certificate Type	Date	Article
G2402192	Certificate of Analysis	Mar 27, 2024	C338042
G2402193	Certificate of Analysis	Mar 27, 2024	C338042
G2402204	Certificate of Analysis	Mar 27, 2024	C338042
G2402211	Certificate of Analysis	Mar 27, 2024	C338042
G2402238	Certificate of Analysis	Mar 27, 2024	C338042
G2402239	Certificate of Analysis	Mar 27, 2024	C338042
G2402254	Certificate of Analysis	Mar 27, 2024	C338042
G2402255	Certificate of Analysis	Mar 27, 2024	C338042
G2402256	Certificate of Analysis	Mar 27, 2024	C338042
G2402257	Certificate of Analysis	Mar 27, 2024	C338042
G2402258	Certificate of Analysis	Mar 27, 2024	C338042
G2402259	Certificate of Analysis	Mar 27, 2024	C338042

Solubilité	Soluble in DMSO (~20 mg/ml), DMF (~20 mg/ml), and 1: 1 DMSO: PBS(pH 7.2) (~0.5 mg/ml).
Indice de réfraction	n20D1.69 (Predicted)
Point d'ébullition (°C)	~600.16° C at 760 mmHg (Predicted)
Point de fusion (°C)	284.63° C (Predicted)
Poids moléculaire	390.400 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	390.149 Da
Monoisotopic Mass	390.149 Da
Topological Polar Surface Area	97.100 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	577.000
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

Chidamide impurity - Moligand™, ≥98% , Inhibitor of histone deacetylase 1, CAS No.743420-02-2, Inhibitor of histone deacetylase 1

Why this grade

Storage & shipping

Quality documents

Literature proof

Vue d’ensemble

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

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