INH1 - 10mM in DMSO , CAS No.313553-47-8

CAS: 313553-47-8 Cat. No.: I423240 Molecular Weight: 308.40

GRADE & PURITY 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Inhibitor that binds Hec1, inhibiting its association with Nek2 and kinetochores. Causes arrest of mitosis and inhibits proliferation in breast cancer cell lines (GI50= 10-20 μM).

Specifications

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

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3)C
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

K562 (73714 Activities)

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

MDA-MB-468 (9477 Activities)

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

HeLa (62764 Activities)

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

MDA-MB-231 (73002 Activities)

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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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 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