Orteronel - ≥99% , Cytochrome P450 17A1 inhibitor, CAS No.566939-85-3, Cytochrome P450 17A1 inhibitor

CAS: 566939-85-3 Cat. No.: O125565 Fórmula: C18H17N3O2 Peso molecular: 307.35
Disponible para pedir
GRADE & PURITY ≥99%
Synonyms
6-[(7S)-7-hydroxy-5H,6H,7H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide | 2-NAPHTHALENECARBOXAMIDE, 6-((7S)-6,7-DIHYDRO-7-HYDROXY-5H-PYRROLO(1,2-C)IMIDAZOL-7-YL)-N-METHYL- | Orteronel [INN] | 6-[(7s)-7-hydroxy-6,7-dihydro-5h-pyrrolo[1,2-
Storage
Conservar a -20°C
Shipped In
Hielera + almohadillas de hielo
Size
Alemania (EU)
USA*
Price
Qty
5mg
O125565-5mg
Fabricado bajo pedido · 8–12 semanas

83,22€

124,87€
Guardar 41,65 € (33.36%)
10mg
O125565-10mg
Fabricado bajo pedido · 8–12 semanas

150,03€

225,53€
Guardar 75,49 € (33.47%)
50mg
O125565-50mg
Fabricado bajo pedido · 8–12 semanas

562,21€

843,36€
Guardar 281,15 € (33.34%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Conservar a -20°C 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

Orteronel(TAK-700) fue seleccionado como candidato para evaluación clínica. orteronel (TAK-700) se encuentra actualmente en ensayos clínicos de fase III para el tratamiento del cáncer de próstata resistente a la castración.
Es un inhibidor de la 17,20-liasa esteroidea con eficacia en células de rata, mono y humanas.

Specifications

Sinónimos
6-[(7S)-7-hydroxy-5H,6H,7H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide | 2-NAPHTHALENECARBOXAMIDE, 6-((7S)-6,7-DIHYDRO-7-HYDROXY-5H-PYRROLO(1,2-C)IMIDAZOL-7-YL)-N-METHYL- | Orteronel [INN] | 6-[(7s)-7-hydroxy-6,7-dihydro-5h-pyrrolo[1,2-
Especificaciones y pureza
≥99%
Mecanismos bioquímicos y fisiológicos
El TAK-700 muestra una potente actividad inhibidora de la 17,20-liasa esteroidea de rata, mono y humano con IC50 de 54 nM, 27 nM y 38 nM, respectivamente. En células suprarrenales de mono, el TAK-700 inhibe la producción de DHEA y androstenediona estimula
Condiciones de almacenamiento de almacenamiento
Conservar a -20°C
Enviado en
Hielera + almohadillas de hielo
Tipo de acción
INHIBITOR
Mecanismo de acción
Cytochrome P450 17A1 inhibitor
Pureza
≥99%
Propiedades del producto
ALogP1.3
Nombres e identificadores
Sonrisas canónicasCNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O
IUPAC Name6-[(7S)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide
InChIKeyOZPFIJIOIVJZMN-SFHVURJKSA-N
INCHI1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1
Isómeros SMILES CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)[C@]3(CCN4C3=CN=C4)O
Peso molecular 307.35
Reaxy-Rn 11851093
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11851093&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
SuperclassBenzenoids
ClaseNaphthalenes
SubclassNaphthalenecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentNaphthalenecarboxamides
Alternative Parents N-substituted imidazoles  Tertiary alcohols  Heteroaromatic compounds  Secondary carboxylic acid amides  Azacyclic compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 2-naphthalenecarboxamide - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Tertiary alcohol - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as naphthalenecarboxamides. These are compounds containing a naphthalene moiety, which bears a carboxylic acid amide group at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene rings.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CYP17A1 Tclin Steroid 17-alpha-hydroxylase/17,20 lyase (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP21A2 Tchem Cytochrome P450 21 (835 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP17A1 Tclin Cytochrome P450 17A1 (3627 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2E1 Tchem Cytochrome P450 2E1 (2174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Cynomolgus monkey (4946 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 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
SolubilidadDMSO ≥60mg/mL;Water <1.2mg/mL;Ethanol ≥60mg/mL
Peso molecular307.300 g/mol
XLogP31.300
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass307.132 Da
Monoisotopic Mass307.132 Da
Topological Polar Surface Area67.200 Ų
Heavy Atom Count23
Formal Charge0
Complexity471.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
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

Preguntas frecuentes

What is the purity of this product?
This product is supplied at ≥99% purity (chemical assay). 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 566939-85-3, the molecular formula is C18H17N3O2, and the molecular weight is 307.35 g/mol. InChIKey OZPFIJIOIVJZMN-SFHVURJKSA-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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