Itacitinib adipate , CAS No.1334302-63-4

CAS: 1334302-63-4 Cat. No.: I648392 Fórmula: C32H33F4N9O5 Peso molecular: 699.66 PubChem CID: 67390313
Disponible para pedir
Synonyms
A903004 | 1334302-63-4 | UNII-XZG407XE0Y | 3-azetidineacetonitrile,1-[1-[[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]carbonyl]-4-piperidinyl]-3-[4-(1h-pyrrolo[2,3-b]pyridin-4-yl)-1h-pyrazol-1-yl]-,hexanedioicacidsalt | SCHEMBL2392474 | D10945 | AKOS03023801
Storage
Store at 2-8°C
Shipped In
Wet ice
★
Size
Alemania (EU)
USA*
Price
Qty
5mg
I648392-5mg
Fabricado bajo pedido · 8–12 semanas
287,13€
10mg
I648392-10mg
Fabricado bajo pedido · 8–12 semanas
495,39€
50mg
I648392-50mg
Fabricado bajo pedido · 8–12 semanas
1.727,58€
100mg
I648392-100mg
Fabricado bajo pedido · 8–12 semanas
3.037,87€
Enter a quantity for the sizes you want to add.
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice 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

Itacitinib adipate is an orally bioavailable and selective JAK1 inhibitor which has been tested for efficacy and safety in a phase II trial in myelofibrosis.

Form:Solid

IC50& Target:JAK1

Specifications

Sinónimos
A903004 | 1334302-63-4 | UNII-XZG407XE0Y | 3-azetidineacetonitrile,1-[1-[[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]carbonyl]-4-piperidinyl]-3-[4-(1h-pyrrolo[2,3-b]pyridin-4-yl)-1h-pyrazol-1-yl]-,hexanedioicacidsalt | SCHEMBL2392474 | D10945 | AKOS03023801
Mecanismos bioquímicos y fisiológicos
Itacitinib adipate is an orally bioavailable and selective JAK1 inhibitor which has been tested for efficacy and safety in a phase II trial in myelofibrosis.
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Tipo de acción
INHIBITOR
Nombres e identificadores
Sonrisas canónicasC1CN(CCC1N2CC(C2)(CC#N)N3C=C(C=N3)C4=C5C=CNC5=NC=N4)C(=O)C6=C(C(=NC=C6)C(F)(F)F)F.C(CCC(=O)O)CC(=O)O
IUPAC Name2-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;hexanedioic acid
InChIKeyCEGWJIQFBNFMHQ-UHFFFAOYSA-N
INCHI1S/C26H23F4N9O.C6H10O4/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21;7-5(8)3-1-2-4-6(9)10/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35);1-4H2,(H,7,8)(H,9,10)
Isómeros SMILES C1CN(CCC1N2CC(C2)(CC#N)N3C=C(C=N3)C4=C5C=CNC5=NC=N4)C(=O)C6=C(C(=NC=C6)C(F)(F)F)F.C(CCC(=O)O)CC(=O)O
CAS alternativo 1334302-63-4
PubChem CID 67390313
Peso molecular 699.66

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
ClasePyridines and derivatives
SubclassPyridinecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentPyridinecarboxylic acids and derivatives
Alternative Parents Pyrrolo[2,3-d]pyrimidines  N-acylpiperidines  Medium-chain fatty acids  Aminopiperidines  Aryl fluorides  Dicarboxylic acids and derivatives  Pyrimidines and pyrimidine derivatives  Vinylogous halides  Tertiary carboxylic acid amides  Heteroaromatic compounds  Pyrroles  Pyrazoles  Amino acids and derivatives  Azetidines  Trialkylamines  Carboxylic acids  Azacyclic compounds  Nitriles  Hydrocarbon derivatives  Alkyl fluorides  Carbonyl compounds  Organic oxides  Organofluorides  
Molecular FrameworkNot available
Substituents Pyridine carboxylic acid or derivatives - Pyrrolopyrimidine - Pyrrolo[2,3-d]pyrimidine - N-acyl-piperidine - Medium-chain fatty acid - 4-aminopiperidine - Dicarboxylic acid or derivatives - Pyrimidine - Aryl fluoride - Piperidine - Aryl halide - Fatty acid - Fatty acyl - Pyrazole - Vinylogous halide - Tertiary carboxylic acid amide - Pyrrole - Azole - Heteroaromatic compound - Amino acid or derivatives - Azetidine - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carbonitrile - Azacycle - Nitrile - Carboxylic acid - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
JAK1 Tclin Tyrosine-protein kinase JAK1 (8569 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
JAK2 Tclin Tyrosine-protein kinase JAK2 (12915 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 : ≥ 137.5 mg/mL (196.52 mM)
Peso molecular699.700 g/mol
XLogP3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count10
Exact Mass699.254 Da
Monoisotopic Mass699.254 Da
Topological Polar Surface Area194.000 Ų
Heavy Atom Count50
Formal Charge0
Complexity1090.000
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 Count2
Calculadoras de soluciones
Reseñas

Reseñas de cliente

Preguntas frecuentes

How should this product be stored?
Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships chilled on wet ice. 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 1334302-63-4, the molecular formula is C32H33F4N9O5, and the molecular weight is 699.66 g/mol. InChIKey CEGWJIQFBNFMHQ-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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