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EC 144 - ≥98%(HPLC) , CAS No.911397-80-3

CAS: 911397-80-3 Cat. No.: E286538 Peso molecular: 413.9
COA
EC 144 - ≥98%(HPLC) CAS No(911397-80-3) by Aladdin Scientific
Disponible para pedir
GRADE & PURITY ≥98%(HPLC)
Synonyms
5-[2-Amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-methyl-4-pentyn-2-ol
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
10mg
E286538-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
541,90US$
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♡ Lista de deseos ⇅ Añadir para comparar ⎙ Print page
SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas
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Why this grade

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

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

Specifications

Sinónimos
5-[2-Amino-4-chloro-7-[(4-methoxy-3, 5-dimethyl-2-pyridinyl)methyl]-7H-pyrrolo[2, 3-d]pyrimidin-5-yl]-2-methyl-4-pentyn-2-ol
Especificaciones y pureza
≥98%(HPLC)
Mecanismos bioquímicos y fisiológicos
High affinity, potent and selective Hsp90 inhibitor (Ki= 0.2 nM and IC50= 1.1 nM). Exhibits selectivity for Hsp90 over Grp94 and TRAP1 (Kivalues are 61 and 255 nM respectively) and has no effect (IC50>10μM) against a panel of 285 kinases. Degrades Her-2 i
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Tipo de acción
INHIBITOR
Pureza
≥98%(HPLC)
Nombres e identificadores
Sonrisas canónicasCC1=CN=C(C(=C1OC)C)CN2C=C(C3=C2N=C(N=C3Cl)N)C#CCC(C)(C)O
IUPAC Name5-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpent-4-yn-2-ol
InChIKeyVOASEWXFCTZRDF-UHFFFAOYSA-N
INCHI1S/C21H24ClN5O2/c1-12-9-24-15(13(2)17(12)29-5)11-27-10-14(7-6-8-21(3,4)28)16-18(22)25-20(23)26-19(16)27/h9-10,28H,8,11H2,1-5H3,(H2,23,25,26)
Isómeros SMILES CC1=CN=C(C(=C1OC)C)CN2C=C(C3=C2N=C(N=C3Cl)N)C#CCC(C)(C)O
Peso molecular 413.9
Reaxy-Rn 11716280
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11716280&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
ClasePyrrolopyrimidines
SubclassPyrrolo[2,3-d]pyrimidines
Intermediate Tree Nodes Not available
Direct ParentPyrrolo[2,3-d]pyrimidines
Alternative Parents Methylpyridines  Halopyrimidines  Aminopyrimidines and derivatives  Alkyl aryl ethers  Substituted pyrroles  Aryl chlorides  Tertiary alcohols  Heteroaromatic compounds  Azacyclic compounds  Primary amines  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Pyrrolo[2,3-d]pyrimidine - Alkyl aryl ether - Aminopyrimidine - Methylpyridine - Halopyrimidine - Aryl chloride - Aryl halide - Substituted pyrrole - Pyrimidine - Pyridine - Heteroaromatic compound - Tertiary alcohol - Pyrrole - Azacycle - Ether - Organochloride - Organohalogen compound - Primary amine - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
HSP90B1 Tchem Endoplasmin (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TRAP1 Tchem Heat shock protein 75 kDa, mitochondrial (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HSP90AA1 Tchem Heat shock protein HSP 90-alpha (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-N87 (850 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsomes (16955 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver (3974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSP90B1 Tchem Endoplasmin (514 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TRAP1 Tchem Heat shock protein 75 kDa, mitochondrial (274 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSP90AA1 Tchem Heat shock protein HSP90 (3606 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Brain (1 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Serum (58 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Spleen (906 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:
Propiedades químicas y físicas
SolubilidadSolvent:ethanol, Max Conc. mg/mL: 2.07, Max Conc. mM: 5; Solvent:DMSO, Max Conc. mg/mL: 41.39, Max Conc. mM: 100
Peso molecular413.900 g/mol
XLogP33.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass413.162 Da
Monoisotopic Mass413.162 Da
Topological Polar Surface Area99.100 Ų
Heavy Atom Count29
Formal Charge0
Complexity635.000
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
Reseñas

Reseñas de cliente

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