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CDKI-73 - 95%, high purity , CAS No.1421693-22-2, Inhibitor of cyclin dependent kinase 1;Inhibitor of cyclin dependent kinase 2;Inhibitor of cyclin dependent kinase 7;Inhibitor of cyclin dependent kinase 9

COA COA
In stock
Item Number
C413829
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C413829-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$118.90
C413829-5mg
5mg
2
$414.90
C413829-10mg
10mg
2
$593.90
C413829-25mg
25mg
2
$1,336.90
C413829-50mg
50mg
2
$1,781.90
C413829-100mg
100mg
2
$2,493.90
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CDK9 Selective Inhibitors

View related series
Apoptosis (4276) CDK (252) Cell Cycle (2830) Cell Cycle/DNA Damage (2602) cyclin dependent kinase 1 Inhibitor (46) cyclin dependent kinase 2 Inhibitor (47) cyclin dependent kinase 7 Inhibitor (15) cyclin dependent kinase 9 Inhibitor (29)

Basic Description

Synonyms GAIOPWBQKZMUNO-UHFFFAOYSA-N | MS-26626 | 3-((5-fluoro-4-(4-methyl-2-(methylamino)thiazol-5-yl)pyrimidin-2-yl)amino)benzenesulfonamide | A925431 | GTPL12074 | 3,4-Dihydroxyphenylserine | AKOS030526509 | (+-)-1-(2-Piperidinyl)-2-propanone | 3-({5-fluoro-4-[
Specifications & Purity Moligand™, ≥95%
Biochemical and Physiological Mechanisms CDKI-73 (LS-007) is a potent CDK inhibitor in vitro with IC50 of 8.17 nM, 3.27 nM, 8.18 nM, and 5.78 nM for CDK1, CDK2, CDK4, and CDK9, respectively. CDKI-73 induces apoptosis in cancer cells. CDKI-73 is an orally bioavailable and highly efficacious CDK9
Storage Temp Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type INHIBITOR
Mechanism of action Inhibitor of cyclin dependent kinase 1;Inhibitor of cyclin dependent kinase 2;Inhibitor of cyclin dependent kinase 7;Inhibitor of cyclin dependent kinase 9
Product Description

Information

CDKI-73 (LS-007) is a potentCDKinhibitor in vitro with IC50 of 8.17 nM, 3.27 nM, 8.18 nM, and 5.78 nM for CDK1, CDK2, CDK4, and CDK9, respectively. CDKI-73 induces apoptosis in cancer cells. CDKI-73 is an orally bioavailable and highly efficaciousCDK9inhibitor against acute myeloid leukemia.


Targets

CDK2 (Cell-free assay); CDK9 (Cell-free assay); CDK1 (Cell-free assay); CDK4 (Cell-free assay) 3.27 nM; 5.78 nM; 8.17 nM; 8.18 nM


In vitro

CDKI-73 induces cancer cells undergoing apoptosis through transcriptional downregulation of anti-apoptotic proteins Bcl-2, Mcl-1 and XIAP by majorly targeting CDK9. Contrastively, it is relatively low toxic to the bone marrow cells of healthy donors.


In vivo

CDKI-73 is orally bioavailable, highly efficacious against MLL-AML MV4–11 xenografts and downregulates anti-apoptotic proteins by targeting CDK9 in vivo.


Cell Research(from reference)

Cell lines：Leukemia cell lines (MOLM13, MV4-11, THP-1, etc.) 

Concentrations：0.05 μM, 0.1 μM, 0.25 μM, 0.5 μM 

Incubation Time：1 h, 4 h, 12 h, 24 h, 48 h 

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Benzenesulfonamides
Intermediate Tree Nodes Not available
Direct Parent Benzenesulfonamides
Alternative Parents Benzenesulfonyl compounds  Aniline and substituted anilines  2,4,5-trisubstituted thiazoles  Halopyrimidines  Aminopyrimidines and derivatives  Organosulfonamides  Aryl fluorides  2-amino-1,3-thiazoles  Heteroaromatic compounds  Aminosulfonyl compounds  Azacyclic compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Amines  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Benzenesulfonamide - Benzenesulfonyl group - 2,4,5-trisubstituted 1,3-thiazole - Aniline or substituted anilines - Aminopyrimidine - Halopyrimidine - Aryl fluoride - Aryl halide - Pyrimidine - Organosulfonic acid amide - 1,3-thiazol-2-amine - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Amine - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
External Descriptors Not available

Product Properties

ALogP 2.359
hba_count 5
HBD Count 3
Rotatable Bond 5

Associated Targets(Human)

CDK1 Tchem Cyclin-dependent kinase 1 (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CDK7 Tchem Cyclin-dependent kinase 7 (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CDK9 Tchem Cyclin-dependent kinase 9 (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CDK2 Tchem Cyclin-dependent kinase 2 (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HCT-116 (91556 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK5 Tchem Cyclin-dependent kinase 5/CDK5 activator 1 (3697 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK1 Tchem Cyclin-dependent kinase 1/cyclin B1 (1887 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CCNE1 Tchem Cyclin-dependent kinase 2/cyclin E (1410 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK1 Tchem Cyclin-dependent kinase 1/cyclin B (899 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2/cyclin A (2220 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CCNH Tbio Cyclin-dependent kinase 7/ cyclin H (714 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504772160
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504772160
IUPAC Name 3-[[5-fluoro-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide
INCHI InChI=1S/C15H15FN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
InChIKey GAIOPWBQKZMUNO-UHFFFAOYSA-N
Smiles CC1=C(SC(=N1)NC)C2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N
Isomeric SMILES CC1=C(SC(=N1)NC)C2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N
Molecular Weight 394.45
Reaxy-Rn 23359052
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23359052&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number Certificate Type Date Item
C2521320 Certificate of Analysis Aug 22, 2022 C413829
B2308546 Certificate of Analysis Aug 22, 2022 C413829
B2308490 Certificate of Analysis Aug 22, 2022 C413829
B2308538 Certificate of Analysis Aug 22, 2022 C413829
B2308686 Certificate of Analysis Aug 22, 2022 C413829
B2308560 Certificate of Analysis Aug 22, 2022 C413829

Chemical and Physical Properties

Solubility Solubility (25°C) In vitro DMSO: 79 mg/mL (200.27 mM); Ethanol: 1.5 mg/mL (3.8 mM); Water: Insoluble;
DMSO(mg / mL) Max Solubility 79
DMSO(mM) Max Solubility 200.2788693117
Water(mg / mL) Max Solubility ＜1
Molecular Weight 394.500 g/mol
XLogP3 2.200
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 5
Exact Mass 394.068 Da
Monoisotopic Mass 394.068 Da
Topological Polar Surface Area 160.000 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 577.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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