Name: VER-49009 - 10mM in DMSO , CAS No.940289-57-6
SKU: V427006
Availability: InStock

VER-49009 - 10mM in DMSO , CAS No.940289-57-6

CAS: 940289-57-6 Cat. No.: V427006 分子式: C₁₉H₁₈ClN₃O₄ 分子量: 387.8 PubChem CID: 4369536

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VER-49009 - 10mM in DMSO CAS No(940289-57-6) by Aladdin Scientific

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注文可能

GRADE & PURITY 10mM in DMSO

Synonyms

VER-49009|558640-51-0|5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE|940289-57-6|3-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)-1h-pyrazole-5-carboxamide|CCT0129397|CHEMBL365617|CHEBI:47273|N-Ethyl-3-(

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要 Specifications 名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質ソリューション計算機レビュー

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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

VER-49009 is a pyrazole compound that inhibits Hsp90, an abundant heat shock protein with roles in protein folding, cell signaling, and cancer. VER-49009 is a pyrazole compound that has been shown to inhibit Hsp90 with an IC|50|value of 47 nM, and has been documented to have a cellular antiproliferative GI|50|value of 685 nM when tested against a human cancer cell line panel. Consistent with inhibition of Hsp90, VER-49009 may induce the expression of HSP 27 and HSP 72 while reducing the client proteins C-RAF, B-RAF, survivin, and PRMT5, causing cell cycle arrest and apoptosis.

Specifications

同義語

VER-49009 | 558640-51-0 | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE | 940289-57-6 | 3-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)-1h-pyrazole-5-carboxamide | CCT0129397 | CHEMBL365617 | CHEBI:47273 | N-Ethyl-3-(

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

パブケム・シド	528767620
カノニカル・スマイル	CCNC(=O)C1=C(C(=NN1)C2=CC(=C(C=C2O)O)Cl)C3=CC=C(C=C3)OC
IUPAC Name	3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
InChIKey	HUNAOTXNHVALTN-UHFFFAOYSA-N
INCHI	1S/C19H18ClN3O4/c1-3-21-19(26)18-16(10-4-6-11(27-2)7-5-10)17(22-23-18)12-8-13(20)15(25)9-14(12)24/h4-9,24-25H,3H2,1-2H3,(H,21,26)(H,22,23)
異性体SMILES	CCNC(=O)C1=C(C(=NN1)C2=CC(=C(C=C2O)O)Cl)C3=CC=C(C=C3)OC
代替CAS番号	558640-51-0
PubChem CID	4369536
分子量	387.8

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - 分類 Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
分類	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	2-heteroaryl carboxamides Anisoles Methoxybenzenes O-chlorophenols P-chlorophenols Phenoxy compounds Pyrazole-5-carboxamides Resorcinols 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - 2-heteroaryl carboxamide - 2-chlorophenol - Phenoxy compound - 2-halophenol - Anisole - 4-chlorophenol - Phenol ether - Pyrazole-5-carboxamide - Resorcinol - 4-halophenol - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Aromatic heteromonocyclic compound
説明	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors	Not available
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

3 D構造

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レビュー

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屈折率	n20D1.64 (Predicted)
沸点（°C）	~620.2° C at 760 mmHg (Predicted)
融点（°C）	289.19° C (Predicted)
分子量	387.800 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	387.099 Da
Monoisotopic Mass	387.099 Da
Topological Polar Surface Area	107.000 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	503.000
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