INH1 - ≥98% , CAS No.313553-47-8

CAS: 313553-47-8 Cat. No.: I341876 분자식: C₁₈H₁₆N₂OS 분자량: 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

Store at 2-8°C,Desiccated

Shipped In

Wet ice

개요

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).

Shown to induce a transient mitotic arrest in HeLa cultures and inhibit the proliferation of 10 breast cancer cell lines (GI50 of 10-21 µM) as well as the cervical HeLa and colon HCT116 cancer lines, while exhibiting reduced potency against the noncancerous MCF10A line (GI50 = 41 µM). Reported to suppress the MDA-MB-468-derived tumor growth (by ~53% and ~75% 3 wks after a 7-wk treatment period with 50 mg/kg and 100 mg/kg INH1, repectively, i.p.) in a murine breast cancer model in vivo.

Specifications

동의어

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

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Desiccated

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

Pubchem Sid

504760326

Pubchem Sid Url

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

정식 스마일

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)

이성체 SMILES

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

분자량

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
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO (100mM) and ethanol (10mM)
• 분자량: 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

자주 묻는 질문

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.