INH1 - ≥98% , CAS No.313553-47-8

CAS: 313553-47-8 Cat. No.: I341876 分子式: C₁₈H₁₆N₂OS 分子量: 308.40

GRADE & PURITY ≥98%

Synonyms

Benzamide,N-[4-(2,4-dimethylphenyl)-2-thiazolyl]- | INH1 | LM-3287 | N-(4-(2,4-dimethylphenyl) -2-thiazolyl)benzamide | AC-33047 | HY-16660 | Q18350699 | N-(4-(2,4-dimethylphenyl)thiazol-2-yl)benzamide | CCG-267565 | MFCD01356769 | N-[4-(2,4-dimethylpheny

Storage

2-8℃で保存する。

Shipped In

濡れた氷

概要

Hec1と結合し、Nek2やキネトコアとの会合を阻害する阻害剤。乳がん細胞株において有糸分裂の停止を引き起こし、増殖を阻害する（GI50= 10-20 μM）。

HeLa培養において一過性の有糸分裂停止を引き起こし、10種の乳がん細胞株（GI50=10-21μM）、子宮頸がん細胞株HeLa、結腸がん細胞株HCT116の増殖を阻害する一方、非がん細胞株MCF10A（GI50=41μM）に対しては低い活性を示した。in vivoのマウス乳がんモデルにおいて、MDA-MB-468由来の腫瘍増殖を抑制することが報告されている（50 mg/kgおよび100 mg/kgのINH1をそれぞれ7週間i.p.投与した後、3週間で～53％および～75％）。

Specifications

同義語

Benzamide,N-[4-(2,4-dimethylphenyl)-2-thiazolyl]- | INH1 | LM-3287 | N-(4-(2,4-dimethylphenyl) -2-thiazolyl)benzamide | AC-33047 | HY-16660 | Q18350699 | N-(4-(2,4-dimethylphenyl)thiazol-2-yl)benzamide | CCG-267565 | MFCD01356769 | N-[4-(2,4-dimethylpheny

仕様と純度

≥98%

保管条件

2-8℃で保存する。

入荷

濡れた氷

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

パブケム・シド

504760326

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504760326

カノニカル・スマイル

CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3)C

IUPAC Name

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide

InChIKey

JPMOKRWIYQGMJL-UHFFFAOYSA-N

INCHI

1S/C18H16N2OS/c1-12-8-9-15(13(2)10-12)16-11-22-18(19-16)20-17(21)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21)

異性体SMILES

CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3)C

分子量

308.40

Reaxy-Rn

12029081

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12029081&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: m-Xylenes Benzoyl derivatives 2,4-disubstituted thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzamide - Benzoyl - Xylene - M-xylene - 2,4-disubstituted 1,3-thiazole - Azole - Thiazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a 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

関連ターゲット（人間）

K562 (73714 Activities)

Explore this target

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

MDA-MB-468 (9477 Activities)

Explore this target

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

HeLa (62764 Activities)

Explore this target

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

MDA-MB-231 (73002 Activities)

Explore this target

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

NDC80 Tbio Kinetochore protein NDC80 homolog (14 Activities)

Discover Target: NDC80

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

関連ターゲット（非人間）

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO (100mM) and ethanol (10mM)
• 分子量: 308.400 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 308.098 Da
• Monoisotopic Mass: 308.098 Da
• Topological Polar Surface Area: 70.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 383.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 313553-47-8, the molecular formula is C18H16N2OS, and the molecular weight is 308.40 g/mol. InChIKey JPMOKRWIYQGMJL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.