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

CAS: 911397-80-3 Cat. No.: E286538 Formula: C21H24ClN5O2 Peso molecolare: 413.9
Disponibile su ordine
QUALITÀ & PUREZZA ≥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
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Dimensione
Germania (EU)
USA*
Prezzo
Qtà
10mg
E286538-10mg
Su ordinazione · 8–12 settimane
470,23€
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Perché questa qualità

≥98%(HPLC) per flussi di lavoro cromatografici e analitici sensibili che richiedono un'interferenza minima della linea di base.

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Stoccaggio e spedizione

Store at -20°C Spedizione Ice chest + Ice pads. Consultare il COA specifico del lotto per le specifiche esatte.

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Documenti di qualità

SDS, COA, scheda tecnica e scheda delle specifiche disponibili per il download. COA specifico del lotto accessibile tramite ricerca per numero di lotto.

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Prova documentale

Citato in 0 pubblicazioni peer-reviewed su cromatografia, sintesi organica e reazioni di accoppiamento incrociato.

Specifiche

Sinonimi
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
Specifiche e purezza
≥98%(HPLC)
Meccanismi biochimici e fisiologici
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
Condizioni di conservazione di stoccaggio
Store at -20°C
Spedito in
Ice chest + Ice pads
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Tipo di azione
INHIBITOR
Purezza
≥98%(HPLC)
Nomi e identificatori
Sorrisi canonici
CC1=CN=C(C(=C1OC)C)CN2C=C(C3=C2N=C(N=C3Cl)N)C#CCC(C)(C)O
IUPAC Name
5-[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
InChIKey
VOASEWXFCTZRDF-UHFFFAOYSA-N
INCHI
1S/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)
Isomeri SMILES
CC1=CN=C(C(=C1OC)C)CN2C=C(C3=C2N=C(N=C3Cl)N)C#CCC(C)(C)O
Peso molecolare
413.9
Reaxy-Rn
11716280
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11716280&ln=

Documentazione

📋 Scheda di dati di sicurezza (SDS)

Documento completo su pericoli, manipolazione, stoccaggio e conformità normativa.

<<<<<<< HEAD Scarica SDS → ======= Scarica SDS → >>>>>>> release248-p3

✅ Certificato di analisi (COA)

Dati di qualità specifici del lotto. Inserisci il numero di lotto per recuperare il COA esatto.

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📊 Scheda tecnica

Riepilogo di riferimento rapido delle specifiche e applicazioni del prodotto.

Visualizza scheda tecnica →

🔬 Scheda delle specifiche

Attributi di qualità completi e criteri di accettazione per questa qualità.

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Dati avanzati

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassePyrrolopyrimidines
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
DescrizioneThis 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
Struttura 3D
Modello di struttura chimica interattiva





Obiettivi associati (umani)
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
Obiettivi associati (non umani)
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
Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
SolubilitàSolvent:ethanol, Max Conc. mg/mL: 2.07, Max Conc. mM: 5; Solvent:DMSO, Max Conc. mg/mL: 41.39, Max Conc. mM: 100
Peso molecolare413.900 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
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

Domande frequenti

What is the purity of this product, and how is it determined?
This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 911397-80-3, the molecular formula is C21H24ClN5O2, and the molecular weight is 413.9 g/mol. InChIKey VOASEWXFCTZRDF-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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