CK-636 - ≥98%(HPLC) , CAS No.442632-72-6

CAS: 442632-72-6 Cat. No.: C138844 분자식: C₁₆H₁₆N₂OS 분자량: 284.38 EC 번호: 663-254-7

GRADE & PURITY ≥98%(HPLC)

Synonyms

N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide | N-[2-(2-Methyl-1H-indol-3-yl)ethyl]-2-thiophenecarboxamide | DB08235 | STL575917 | HY-15892 | 2-Thiophenecarboxamide, N-(2-(2-methyl-1H-indol-3-yl)ethyl)- | MFCD03036245 | SCHEMBL3612821 | Sulfisomidi

Storage

Room temperature

Shipped In

Normal

개요

CK-636 is an Arp2/3 complex inhibitor with IC50 of 4 μM, 24 μM and 32 μM for inhibition of actin polymerization induced by human, fission yeast and bovine Arp2/3 complex, respectively

Specifications

동의어

N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide | N-[2-(2-Methyl-1H-indol-3-yl)ethyl]-2-thiophenecarboxamide | DB08235 | STL575917 | HY-15892 | 2-Thiophenecarboxamide, N-(2-(2-methyl-1H-indol-3-yl)ethyl)- | MFCD03036245 | SCHEMBL3612821 | Sulfisomidi

사양 및 순도

≥98%(HPLC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(HPLC)

이름과 식별자

Pubchem Sid

504759396

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759396

정식 스마일

CC1=C(C2=CC=CC=C2N1)CCNC(=O)C3=CC=CS3

IUPAC Name

N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide

InChIKey

ACAKNPKRLPMONU-UHFFFAOYSA-N

INCHI

1S/C16H16N2OS/c1-11-12(13-5-2-3-6-14(13)18-11)8-9-17-16(19)15-7-4-10-20-15/h2-7,10,18H,8-9H2,1H3,(H,17,19)

이성체 SMILES

CC1=C(C2=CC=CC=C2N1)CCNC(=O)C3=CC=CS3

WGK 독일

3

분자량

284.38

Reaxy-Rn

19720231

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19720231&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: Thiophene carboxamides 2-heteroaryl carboxamides Substituted pyrroles Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Pyrrole - Thiophene - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• 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(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

• 분자량: 284.400 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 284.098 Da
• Monoisotopic Mass: 284.098 Da
• Topological Polar Surface Area: 73.100 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 349.000
• 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

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 442632-72-6, the molecular formula is C16H16N2OS, and the molecular weight is 284.38 g/mol. InChIKey ACAKNPKRLPMONU-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.