WP1066 - Moligand™, ≥98% , Channel blocker of K v1.3;Inhibitor of signal transducer and activator of transcription 3, CAS No.857064-38-1, Channel blocker of K v1.3;Inhibitor of signal transducer and activator of transcription 3

CAS: 857064-38-1 Cat. No.: W129459 분자식: C₁₇H₁₄BrN₃O 분자량: 356.22 EC 번호: 632-919-3 PubChem CID: 11210478

GRADE & PURITY Moligand™, ≥98%

Synonyms

AKOS016007983 | AC-28413 | GTPL7972 | MFCD00445901 | 63V8AIE65T | BDBM50557738 | MLS006010178 | SCHEMBL1315831 | STK888392 | Q27089227 | UNII-63V8AIE65T | (S,E)-3-(6-Bromopyridin-2-yl)-2-cyano-N-(1-phenylethyl)acrylamide | 1-(3-phenyl-2-propenoyl)-piperid

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

WP1066 is a novel inhibitor of JAK2 and STAT3 with IC50 of 2.30 μM and 2.43 μM in HEL cells; shows activity to JAK2, STAT3, STAT5, and ERK1/2 not JAK1 and JAK3.
A cell permeable inhibitor of Stat3 and JAK2 protein tyrosine kinase.

Specifications

동의어

AKOS016007983 | AC-28413 | GTPL7972 | MFCD00445901 | 63V8AIE65T | BDBM50557738 | MLS006010178 | SCHEMBL1315831 | STK888392 | Q27089227 | UNII-63V8AIE65T | (S,E)-3-(6-Bromopyridin-2-yl)-2-cyano-N-(1-phenylethyl)acrylamide | 1-(3-phenyl-2-propenoyl)-piperid

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

WP1066 (WP10666) is a cell permeable AG 490 tyrphostin analog that effectively inhibits the STAT3 pathway. The inhibitor is a potent antitumor agent as displayed in the growth inhibition of malignant glioma cell and acute myelogenous leukemia cells. Stat3

보관 조건

Store at 2-8°C

배송

Wet ice

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등급

Moligand™

작업 유형

CHANNEL BLOCKER, INHIBITOR

작동 메커니즘

Channel blocker of K v1.3;Inhibitor of signal transducer and activator of transcription 3

참고

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488197282
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197282
• 정식 스마일: CC(C1=CC=CC=C1)NC(=O)C(=CC2=NC(=CC=C2)Br)C#N
• IUPAC Name: (E)-3-(6-bromopyridin-2-yl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide
• InChIKey: VFUAJMPDXIRPKO-LQELWAHVSA-N
• INCHI: 1S/C17H14BrN3O/c1-12(13-6-3-2-4-7-13)20-17(22)14(11-19)10-15-8-5-9-16(18)21-15/h2-10,12H,1H3,(H,20,22)/b14-10+/t12-/m0/s1
• 이성체 SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)/C(=C/C2=NC(=CC=C2)Br)/C#N
• PubChem CID: 11210478
• 분자량: 356.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Benzene and substituted derivatives Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
• 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)

STAT3 Tchem Signal transducer and activator of transcription 3 (0 Activities)

Discover Target: STAT3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNA3 Tclin Potassium voltage-gated channel subfamily A member 3 (0 Activities)

Discover Target: KCNA3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

STAT3 Tchem Signal transducer and activator of transcription 3 (3313 Activities)

Discover Target: STAT3

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

U373 MG (658 Activities)

Explore this target

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

U-87 MG (3946 Activities)

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

HepG2 (196354 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

U-266 (527 Activities)

Explore this target

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

HEK-293T (167025 Activities)

Explore this target

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 72 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• 분자량: 356.200 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 355.032 Da
• Monoisotopic Mass: 355.032 Da
• Topological Polar Surface Area: 65.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 462.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1