Name: A-1210477 - 2mM in DMSO , CAS No.1668553-26-1
SKU: A422067
Availability: InStock

A-1210477 - 2mM in DMSO , CAS No.1668553-26-1

CAS: 1668553-26-1 Cat. No.: A422067 分子式: C₄₆H₅₅N₇O₇S 分子量: 850.04

イメージギャラリーの最後に移動する

A-1210477 - 2mM in DMSO CAS No(1668553-26-1) by Aladdin Scientific

イメージギャラリーの最初に移動する

注文可能

GRADE & PURITY 2mM in DMSO

Synonyms

7-[5-[[4-[4-[(Dimethylamino)sulfonyl]-1-piperazinyl]phenoxy]methyl]-1,3-dimethyl-1H-pyrazol-4-yl]-1-[2-(4-morpholinyl)ethyl]-3-[3-(1-naphthalenyloxy)propyl]-1H-indole-2-carboxylicacid

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

🧪

Why this grade

2mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

概要

Shipped at 4°C. Store at -20°C. Store under desiccating conditions.

Specifications

同義語

7-[5-[[4-[4-[(Dimethylamino)sulfonyl]-1-piperazinyl]phenoxy]methyl]-1,3-dimethyl-1H-pyrazol-4-yl]-1-[2-(4-morpholinyl)ethyl]-3-[3-(1-naphthalenyloxy)propyl]-1H-indole-2-carboxylicacid

仕様と純度

2mM in DMSO

生化学的・生理学的メカニズム

Potent, selective MCL-1 inhibitor with K i and IC 50 of 0.454 nM and 26.2 nM, respectively, >100-fold selectivity over other Bcl-2 family members. Cell permeable. Binds to MCL-1 selectively and with sufficient affinity to disrupt the MCL-1-BIM complex in

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。

アクションタイプ

INHIBITOR

名前と識別子

パブケム・シド	528762983
カノニカル・スマイル	CC1=NN(C(=C1C2=CC=CC3=C2N(C(=C3CCCOC4=CC=CC5=CC=CC=C54)C(=O)O)CCN6CCOCC6)COC7=CC=C(C=C7)N8CCN(CC8)S(=O)(=O)N(C)C)C
IUPAC Name	7-[5-[[4-[4-(dimethylsulfamoyl)piperazin-1-yl]phenoxy]methyl]-1,3-dimethylpyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid
InChIKey	XMVAWGSQPHFXKU-UHFFFAOYSA-N
INCHI	1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6-12-37(34)42)45(46(54)55)53(44(38)40)26-21-50-27-30-58-31-28-50/h5-8,10-14,16-20H,9,15,21-32H2,1-4H3,(H,54,55)
異性体SMILES	CC1=NN(C(=C1C2=CC=CC3=C2N(C(=C3CCCOC4=CC=CC5=CC=CC=C54)C(=O)O)CCN6CCOCC6)COC7=CC=C(C=C7)N8CCN(CC8)S(=O)(=O)N(C)C)C
分子量	850.04
Reaxy-Rn	28394619
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28394619&ln=

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 Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
分類	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpiperazines
Alternative Parents	Indolecarboxylic acids and derivatives N-arylpiperazines 3-alkylindoles Piperazinesulfonamides Naphthalenes N-alkylindoles Aminophenyl ethers Pyrrole 2-carboxylic acids Aniline and substituted anilines Phenoxy compounds Dialkylarylamines Alkyl aryl ethers Sulfuric acid diamides Substituted pyrroles Morpholines Heteroaromatic compounds Pyrazoles Trialkylamines Amino acids Oxacyclic compounds Dialkyl ethers Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxylic acid derivative - Phenylpiperazine - N-arylpiperazine - Naphthalene - N-alkylindole - Piperazine-1-sulfonamide - 3-alkylindole - Indole - Aminophenyl ether - Indole or derivatives - Phenoxy compound - Phenol ether - Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Dialkylarylamine - Aniline or substituted anilines - Alkyl aryl ether - Substituted pyrrole - Monocyclic benzene moiety - Benzenoid - Oxazinane - Sulfuric acid diamide - Morpholine - Pyrrole - Pyrazole - Azole - Heteroaromatic compound - Organic sulfuric acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Amino acid - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Amine - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
説明	This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine 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

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Reconstitution Calculator

レビュー

Bulk & Custom Packaging Need larger quantities or custom specifications? Contact our team for a tailored quote.

分子量	850.000 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	16
Exact Mass	849.388 Da
Monoisotopic Mass	849.388 Da
Topological Polar Surface Area	143.000 Å²
Heavy Atom Count	61
Formal Charge	0
Complexity	1500.000
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