CDK9-IN-8 - ≥99% , CAS No.2105956-51-0

CAS: 2105956-51-0 Cat. No.: C651571 Fórmula: C31H32FN7O3 Peso molecular: 569.63 PubChem CID: 137628632
Disponível para encomenda
GRADE & PURITY ≥99%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
Alemanha (EU)*
Price
Qty
5mg
C651571-5mg
Sob encomenda · 8–12 semanas
700,90US$
10mg
C651571-10mg
Sob encomenda · 8–12 semanas
1100,90US$
50mg
C651571-50mg
Sob encomenda · 8–12 semanas
3300,90US$
100mg
C651571-100mg
Sob encomenda · 8–12 semanas
4500,90US$
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

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.

Visão geral

CDK9-IN-8 is a highly effective and selective CDK9 inhibitor with an IC 50 of 12 nM.

Form:Solid

IC50& Target:CDK9 12 nM (IC 50 )

Specifications

Especificações e pureza
≥99%
Mecanismos bioquímicos e fisiológicos
CDK9-IN-8 is a highly effective and selective CDK9 inhibitor with an IC 50 of 12 nM.
Condições de armazenamento de armazenamento
Store at -20°C
Enviado em
Ice chest + Ice pads
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Tipo de ação
INHIBITOR
Pureza
≥99%
Nomes e identificadores
Sorrisos canónicosCN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=CC=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F
IUPAC Name1-N-[4-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
InChIKeyKXUNYNZTSOIXMY-UHFFFAOYSA-N
INCHI1S/C31H32FN7O3/c1-38(2)27(40)25-17-19-18-33-30(37-26(19)39(25)24-5-3-4-6-24)36-23-13-11-22(12-14-23)35-29(42)31(15-16-31)28(41)34-21-9-7-20(32)8-10-21/h7-14,17-18,24H,3-6,15-16H2,1-2H3,(H,34,41)(H,35,42)(H,33,36,37)
SMILES isoméricas CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=CC=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F
PubChem CID 137628632
Peso molecular 569.63

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
ClasseBenzene and substituted derivatives
SubclassAnilides
Intermediate Tree Nodes Not available
Direct ParentAnilides
Alternative Parents Pyrrolo[2,3-d]pyrimidines  Pyrrole carboxamides  N-arylamides  Aniline and substituted anilines  2-heteroaryl carboxamides  Fluorobenzenes  Aminopyrimidines and derivatives  Substituted pyrroles  Cyclopropanecarboxylic acids and derivatives  Aryl fluorides  Tertiary carboxylic acid amides  Heteroaromatic compounds  Secondary carboxylic acid amides  Amino acids and derivatives  Secondary amines  Azacyclic compounds  Organopnictogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Pyrrolo[2,3-d]pyrimidine - Anilide - Pyrrolopyrimidine - 2-heteroaryl carboxamide - Aniline or substituted anilines - N-arylamide - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxamide - Halobenzene - Fluorobenzene - Aminopyrimidine - Substituted pyrrole - Pyrimidine - Cyclopropanecarboxylic acid or derivatives - Aryl halide - Aryl fluoride - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-5 (45555 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SiHa (2051 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
T47D (39041 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H1299 (3248 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H460 (60772 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK5 Tchem Cyclin-dependent kinase 5/CDK5 activator 1 (3697 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK1 Tchem Cyclin-dependent kinase 1/cyclin B1 (1887 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCNE1 Tchem Cyclin-dependent kinase 2/cyclin E1 (1877 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCND3 Tchem CDK6/cyclin D3 (897 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCNT1 Tchem CDK9/cyclin T1 (2643 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK2 Tchem CDK2/Cyclin A2 (2260 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCNE1 Tchem CDK3/Cyclin E (905 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK4 Tclin CDK4/Cyclin D3 (681 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCNH Tbio CDK7/Cyclin H/MNAT1 (693 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK18 Tchem CDK18/Cyclin Y (31 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
4T1 (1737 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
SolubilidadeDMSO : 5.2 mg/mL (9.13 mM; ultrasonic and warming and heat to 80°C) H2O : <0.1 mg/mL (insoluble)
Peso molecular569.600 g/mol
XLogP35.200
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass569.255 Da
Monoisotopic Mass569.255 Da
Topological Polar Surface Area121.000 Ų
Heavy Atom Count42
Formal Charge0
Complexity987.000
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 soluções
Revisões

Avaliações dos Clientes

Perguntas frequentes

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 2105956-51-0, the molecular formula is C31H32FN7O3, and the molecular weight is 569.63 g/mol. InChIKey KXUNYNZTSOIXMY-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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