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

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

CAS: 1668553-26-1 Cat. No.: A422067 Summenformel: C₄₆H₅₅N₇O₇S Molekulargewicht: 850.04

COA

Zum Ende der Bildgalerie springen

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

Zum Anfang der Bildgalerie springen

Zu bestellen verfügbar

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

Übersicht Specifications Namen und Kennungen Documentation Advanced Data Taxonomic Classification 3D-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen

🧪

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.

Übersicht

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

2mM in DMSO

Biochemische und physiologische Mechanismen

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

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Namen und Kennungen

Pubchem Sid	528762983
Kanonisches Lächeln	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)
Isomere 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
Molekulargewicht	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
  - Klasse Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Klasse	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
Beschreibung	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

3D-Struktur

Zugehörige Ziele (menschlich)

MCL1 Tchem Induced myeloid leukemia cell differentiation protein Mcl-1 (8 Activities)

Discover Target: MCL1

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

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

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

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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

CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

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

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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

AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

Discover Target: AURKA

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

HL-60 (67320 Activities)

Molekulargewicht	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