NKL 22 - ≥95% , CAS No.537034-15-4

CAS: 537034-15-4 Cat. No.: N338203 분자식: C₁₉H₂₃N₃O₂ 분자량: 325.4

등급 & 순도 ≥95%

Synonyms

Histone Deacetylase Inhibitor IV | DTXSID60429495 | NKL-22 | Probes2_000492 | HY-100384 | BDBM50254774 | NKL 22 | N-(2-Aminophenyl)-N inverted exclamation mark -phenylheptanediamide | FT-0662016 | PAOA | A923366 | BCP16847 | N11287 | s6548 | AKOS027439961

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Product description：

NKL 22 is a HDAC inhibitor. The value of IC 50 is 78 uM NKL 22 increase frataxin protein concentrationsNKL 22 inhibitors increase FXN mRNA in FRDA lymphocytes.HDAC inhibitors act directly on FXN.

사양

동의어

Histone Deacetylase Inhibitor IV | DTXSID60429495 | NKL-22 | Probes2_000492 | HY-100384 | BDBM50254774 | NKL 22 | N-(2-Aminophenyl)-N inverted exclamation mark -phenylheptanediamide | FT-0662016 | PAOA | A923366 | BCP16847 | N11287 | s6548 | AKOS027439961

사양 및 순도

≥95%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥95%

제품 특성

pKa

pKₐ: 4.04 (Predicted)

이름과 식별자

Pubchem Sid

504764795

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764795

정식 스마일

C1=CC=C(C=C1)NC(=O)CCCCCC(=O)NC2=CC=CC=C2N

IUPAC Name

N'-(2-aminophenyl)-N-phenylheptanediamide

InChIKey

ZAIULUYKQLVQFH-UHFFFAOYSA-N

INCHI

1S/C19H23N3O2/c20-16-11-7-8-12-17(16)22-19(24)14-6-2-5-13-18(23)21-15-9-3-1-4-10-15/h1,3-4,7-12H,2,5-6,13-14,20H2,(H,21,23)(H,22,24)

이성체 SMILES

C1=CC=C(C=C1)NC(=O)CCCCCC(=O)NC2=CC=CC=C2N

분자량

325.4

Reaxy-Rn

9424961

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9424961&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: 2'-Aminoanilides
• Alternative Parents: N-arylamides Aniline and substituted anilines Fatty amides Secondary carboxylic acid amides Amino acids and derivatives Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2'-aminoanilide - N-arylamide - Aniline or substituted anilines - Fatty amide - Fatty acyl - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as 2'-aminoanilides. These are organic compounds containing an anilide moieties that carries an amino group at the 2-position of the benzene ring.
• 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

관련 대상(인간)

HDAC1 Tclin Histone deacetylase 1 (2 Activities)

Discover Target: HDAC1

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)

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

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

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

U-937 (7138 Activities)

Explore this target

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

HepG2 (196354 Activities)

Explore this target

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

HDAC3 Tclin Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (735 Activities)

Discover Target: HDAC3

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

GM15850 (303 Activities)

Explore this target

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

관련 대상(비인간)

Hdac1 Histone deacetylase 1 (93 Activities)

Discover Target: Hdac1

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

Hdac5 Histone deacetylase 5 (5 Activities)

Discover Target: Hdac5

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

HD1 Histone deacetylase (38 Activities)

Discover Target: HD1

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in DMSO (100 mg/ml), and methanol (5 mg/ml).
• 굴절률: n20D1.64 (Predicted)
• 끓는점(°C): 627.86° C at 760 mmHg (Predicted)
• 녹는점(°C): 159-161° C (lit.)
• 분자량: 325.400 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 325.179 Da
• Monoisotopic Mass: 325.179 Da
• Topological Polar Surface Area: 84.200 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 394.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1