A-1210477 - ≥98% , CAS No.1668553-26-1

CAS: 1668553-26-1 Cat. No.: A276231 Peso molecular: 850.04
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
7-[5-[[4-[4-[(Dimetilamino)sulfonil]-1-piperazinil]fenoxi]metil]-1,3-dimetil-1H-pirazol-4-il]-1-[2-(4-morfolinil)etil]-3-[3-(1-naftaleniloxi)propil]-1H-indole-2-carboxilicacido | 7-(1,3-Dimetil-5-((4-(4-(metilsulfonil)piperazin-1-il)fenoxi)metil
Storage
Conservar a -20°C,Desecado
Shipped In
Hielera + almohadillas de hielo
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
A276231-5mg
3

32,90US$

49,90US$
Guardar 17,00 US$ (34.07%)
10mg
A276231-10mg
3

55,90US$

83,90US$
Guardar 28,00 US$ (33.37%)
25mg
A276231-25mg
3

91,90US$

137,90US$
Guardar 46,00 US$ (33.36%)
50mg
A276231-50mg
2

174,90US$

262,90US$
Guardar 88,00 US$ (33.47%)
100mg
A276231-100mg
2

296,90US$

445,90US$
Guardar 149,00 US$ (33.42%)
250mg
A276231-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

649,90US$

974,90US$
Guardar 325,00 US$ (33.34%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Conservar a -20°C,Desecado Ships Hielera + almohadillas de hielo 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.

Descripción general

Enviado a 4°C. Almacenar a -20°C. Almacenar en condiciones de desecación.

Specifications

Sinónimos
7-[5-[[4-[4-[(Dimetilamino)sulfonil]-1-piperazinil]fenoxi]metil]-1, 3-dimetil-1H-pirazol-4-il]-1-[2-(4-morfolinil)etil]-3-[3-(1-naftaleniloxi)propil]-1H-indole-2-carboxilicacido | 7-(1, 3-Dimetil-5-((4-(4-(metilsulfonil)piperazin-1-il)fenoxi)metil
Especificaciones y pureza
≥98%
Mecanismos bioquímicos y fisiológicos
Inhibidor potente y selectivo de MCL-1 con K i e IC 50 de 0, 454 nM y 26, 2 nM, respectivamente, con una selectividad >100 veces superior a la de otros miembros de la familia Bcl-2. Permeable a las células. Se une a MCL-1 de forma selectiva y con afinidad s
Condiciones de almacenamiento de almacenamiento
Conservar a -20°C, Desecado
Enviado en
Hielera + almohadillas de hielo
Nota
Siempre que sea posible, prepare y utilice las soluciones el mismo día. Sin embargo, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.
Pureza
≥98%
Nombres e identificadores
Pubchem Sid504771839
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504771839
Sonrisas canónicasCC1=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 Name7-[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
InChIKeyXMVAWGSQPHFXKU-UHFFFAOYSA-N
INCHI1S/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)
Isómeros 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
Peso molecular 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

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseDiazinanes
SubclassPiperazines
Intermediate Tree Nodes Not available
Direct ParentPhenylpiperazines
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 FrameworkAromatic 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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
MCL1 Tchem Induced myeloid leukemia cell differentiation protein Mcl-1 (8 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-BR-3 (5175 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H23 (49055 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCL2L1 Tchem Apoptosis regulator Bcl-X (2604 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCL2 Tclin Apoptosis regulator Bcl-2 (3787 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MV4-11 (7307 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCL1 Tchem Induced myeloid leukemia cell differentiation protein Mcl-1 (3820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LP-1 (136 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RS4-11 (1012 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KMS-12-PE (100 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L-363 (186 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK-293T (167025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H929 (451 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MM1.S (1111 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot NumberCertificate TypeFechaArticulo
L2203078Certificate of AnalysisDec 12, 2025 A276231
L2203079Certificate of AnalysisDec 12, 2025 A276231
L2203080Certificate of AnalysisDec 12, 2025 A276231
L2203081Certificate of AnalysisDec 12, 2025 A276231
L2203082Certificate of AnalysisDec 12, 2025 A276231
L2203085Certificate of AnalysisDec 12, 2025 A276231
Propiedades químicas y físicas
SolubilidadSoluble in DMSO to 3 mM (with warming)
Peso molecular850.000 g/mol
XLogP33.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Exact Mass849.388 Da
Monoisotopic Mass849.388 Da
Topological Polar Surface Area143.000 Ų
Heavy Atom Count61
Formal Charge0
Complexity1500.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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